69561133
  -OEChem-05052407022D

 43 45  0     0  0  0  0  0  0999 V2000
    3.6424    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    6.3129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    7.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    7.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    7.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    5.2002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    4.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    5.2002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    3.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738    8.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    8.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.5807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    5.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    8.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    5.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    8.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    7.1176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 43  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 33  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  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 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69561133

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AABEAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAFgB/AAAHAQQAAAADQjBXwQz0bbIEAikAyZiZACDoKkhCrBJmLw4ZJiIKCLg2dGEJAxokALoyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19N3S.ClH/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;1H

> <PUBCHEM_IUPAC_INCHIKEY>
JVLDRMYEWIQNSW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
345.1066465

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20ClN3S

> <PUBCHEM_MOLECULAR_WEIGHT>
345.9

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

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

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
345.1066465

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
12  13  8
13  16  8
15  16  8
17  19  8
17  20  8
19  21  8
2  12  8
2  15  8
20  22  8
21  23  8
22  23  8
4  11  8
4  14  8
5  13  8
5  14  8

$$$$