21554596
 OpenBabel05082101102D

 21 22  0  0  1  0  0  0  0  0999 V2000
    6.1279   -0.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.4271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1568    0.5233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    1.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
21554596

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
151

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgBgAAAHgAAAAAADBzhnwYvkJYIFACgAxZnZASAgCkxAKABWCA4TBiCLoJA+ciHFAhuwAPYaCKwAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_CAS_NAME>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_NAME>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H10N2O/c1-5-8-7(4-11-5)3-9-6(2)10-8/h3,5H,4H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NFFYLZWKFLCOPG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.3

>  <PUBCHEM_EXACT_MASS>
150.079313

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H10N2O

>  <PUBCHEM_MOLECULAR_WEIGHT>
150.18

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2=NC(=NC=C2CO1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2=NC(=NC=C2CO1)C

>  <PUBCHEM_CACTVS_TPSA>
35

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.079313

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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>
2  10  8
2  5  8
3  10  8
3  9  8
4  8  3
5  6  8
6  9  8

$$$$
