37542
 OpenBabel05082101102D

 29 30  0  0  1  0  0  0  0  0999 V2000
    5.0298   -1.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -3.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.0756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    1.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    3.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -1.5122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.9244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.6693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    3.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  6  0  0  0
 11  2  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  6  0  0  0
 12 14  1  0  0  0  0
 12 20  1  1  0  0  0
 13  6  1  0  0  0  0
 13 21  1  1  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
37542

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
304

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

>  <PUBCHEM_CACTVS_HBOND_DONOR>
4

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAYCAAACBThgwYFEAZIFgAqAAMxNAAQgAsSgKAVQACIAACDWAIAiCAeQAAPCAITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
IWUCXVSUMQZMFG-AFCXAGJDSA-N

>  <PUBCHEM_XLOGP3>
-1.8

>  <PUBCHEM_EXACT_MASS>
244.08077

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H12N4O5

>  <PUBCHEM_MOLECULAR_WEIGHT>
244.2

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

>  <PUBCHEM_CACTVS_TPSA>
144

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.08077

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
12  14  6
11  2  5
10  3  5
13  6  6
6  15  8
6  7  8
7  16  8
8  15  8
8  16  8

$$$$
