69560981
  -OEChem-04192417262D

 41 44  0     0  0  0  0  0  0999 V2000
    5.5443    1.0053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    3.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    3.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    3.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 32  1  0  0  0  0
  3 10  2  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69560981

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AABAAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAFgB/AAAHAQQAAAADQjBXwQz0bbIEAikAyZiZACDoKkhCrBJmLw4ZJiIKCLg2dGEJAxokALoyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-6-phenyl-4-(4-piperidyl)thieno[3,2-d]pyrimidine

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-6-phenyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine

> <PUBCHEM_IUPAC_NAME>
2-methyl-6-phenyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-6-phenyl-4-piperidin-4-yl-thieno[3,2-d]pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-6-phenyl-4-(4-piperidyl)thieno[3,2-d]pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19N3S/c1-12-20-15-11-16(13-5-3-2-4-6-13)22-18(15)17(21-12)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OOSVCKBJSXRGFU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
309.12996879

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19N3S

> <PUBCHEM_MOLECULAR_WEIGHT>
309.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=C(C(=N1)C3CCNCC3)SC(=C2)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(C(=N1)C3CCNCC3)SC(=C2)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.12996879

> <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  11  8
1  14  8
10  11  8
11  12  8
12  15  8
14  15  8
16  18  8
16  19  8
18  20  8
19  21  8
20  22  8
21  22  8
3  10  8
3  13  8
4  12  8
4  13  8

$$$$