44528665
  -OEChem-04262407322D

 30 32  0     0  0  0  0  0  0999 V2000
    8.2619   -0.6645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -1.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    2.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    1.0675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    2.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819   -1.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4519   -2.0675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  2  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44528665

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABgAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFgB/AAAHAQQQAAADAiBXgQ18bZIEAqkAyZjZHDDoLkxCrBJ2Dw4ZJiIKCLg2dGEJAxogAJoyCcQgMAOAAAAgAAAAAAAAAEAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-amino-6-thieno[3,2-d]pyrimidinyl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-azanylthieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
MQMXDJVOZKMSNT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
306.02451792

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10N4O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
306.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)S(=O)(=O)N)C2=CC3=C(S2)C(=NC=N3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)S(=O)(=O)N)C2=CC3=C(S2)C(=NC=N3)N

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.02451792

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
10  14  8
11  12  8
11  17  8
13  15  8
13  19  8
14  15  8
16  18  8
17  18  8
2  10  8
2  13  8
5  15  8
5  20  8
7  19  8
7  20  8
9  12  8
9  16  8

$$$$