6307
 OpenBabel05082101102D

 30 31  0  0  1  0  0  0  0  0999 V2000
    3.4022    1.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -1.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -1.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -0.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    0.7637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0663    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6644    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5304    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984    1.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0629    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    1.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796   -1.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2204    0.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0674    0.4537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8404    1.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 18  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6307

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
436

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgYQQAAADArB2CQzwYLAAAKIAiVSUHDCABAlBwAAiJkIZsiIIDrB1pGEIYholwLIyecYiACOBAQAgAICAIAICAEABAQBAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_CAS_NAME>
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1<I>H</I>-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_NAME>
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-chloranyl-2-ethyl-4-oxidanylidene-2,3-dihydro-1H-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-chloro-2-ethyl-4-keto-2,3-dihydro-1H-quinazoline-6-sulfonamide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)

>  <PUBCHEM_IUPAC_INCHIKEY>
AGMMTXLNIQSRCG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.2

>  <PUBCHEM_EXACT_MASS>
289.02879

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H12ClN3O3S

>  <PUBCHEM_MOLECULAR_WEIGHT>
289.74

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl

>  <PUBCHEM_CACTVS_TPSA>
110

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
289.02879

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
18

>  <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>
10  12  8
10  16  8
12  14  8
14  15  8
15  17  8
16  17  8
9  11  3

$$$$
