68760958
  -OEChem-05112420282D

 42 45  0     0  0  0  0  0  0999 V2000
    7.2764   -0.0547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    2.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    1.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    2.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700    1.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 25  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  7 37  1  0  0  0  0
  8 25  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68760958

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
470

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABAAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAFgB/AAAHgQQAAAADAjh3gYx0bfIFAisAyRidACDoKlhCrlJmDw4ZJiKKKLg2dGHJAxolAL4yCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-morpholino-4-phenyl-thieno[3,2-d]pyrimidin-6-yl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
[2-(4-morpholinyl)-4-phenyl-6-thieno[3,2-d]pyrimidinyl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-morpholin-4-yl-4-phenylthieno[3,2-d]pyrimidin-6-yl)urea

> <PUBCHEM_IUPAC_NAME>
(2-morpholin-4-yl-4-phenylthieno[3,2-d]pyrimidin-6-yl)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-morpholin-4-yl-4-phenyl-thieno[3,2-d]pyrimidin-6-yl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-morpholino-4-phenyl-thieno[3,2-d]pyrimidin-6-yl)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N5O2S/c18-16(23)20-13-10-12-15(25-13)14(11-4-2-1-3-5-11)21-17(19-12)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H3,18,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
UAEVQJBFIXFEIP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
355.11029598

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N5O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
355.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=NC3=C(C(=N2)C4=CC=CC=C4)SC(=C3)NC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=NC3=C(C(=N2)C4=CC=CC=C4)SC(=C3)NC(=O)N

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.11029598

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  15  8
1  19  8
14  15  8
15  16  8
16  18  8
17  20  8
17  21  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8
5  13  8
5  14  8
6  13  8
6  16  8

$$$$