711223
  -OEChem-05112410082D

 39 42  0     0  0  0  0  0  0999 V2000
    5.5443   -2.3047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -0.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  2  0  0  0  0
  5 12  2  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
711223

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IABAAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAFgB/AAAHgQAAAAADADh2wYzsdcIFAikAiJiZACD0KlhCLhJmDg4RJiKKKLg2dGHJAxogAL4yCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)morpholine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N3OS/c1-12-18-16(20-7-9-21-10-8-20)14-11-15(22-17(14)19-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FSMZEHQTYAMEMO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
311.10923335

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N3OS

> <PUBCHEM_MOLECULAR_WEIGHT>
311.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
66.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.10923335

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  12  8
1  14  8
11  12  8
11  13  8
13  14  8
16  18  8
16  19  8
18  20  8
19  21  8
20  22  8
21  22  8
4  15  8
4  8  8
5  12  8
5  15  8
8  11  8

$$$$