2809032
  -OEChem-05231313382D

 38 40  0     0  0  0  0  0  0999 V2000
    4.6783   -0.6953    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 18  2  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2809032

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIABAAAAAAAAAAAAAAAAAASAAAAAsWAAAAAAAAFgB+AAAHgQAAAAADgjh1gY38bcIFAikASZjZACDoKkxCrBB2Dw4ZJiKKCLg2NGHJAxogAL4yCcQgEANAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)morpholine

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H19N3OS/c1-14(2,3)11-8-10-12(19-11)13(16-9-15-10)17-4-6-18-7-5-17/h8-9H,4-7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
ODUHAQZHIUPRFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
277.124883

> <PUBCHEM_MOLECULAR_FORMULA>
C14H19N3OS

> <PUBCHEM_MOLECULAR_WEIGHT>
277.38516

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=CC2=C(S1)C(=NC=N2)N3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=CC2=C(S1)C(=NC=N2)N3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
66.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.124883

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  7  8
10  11  8
11  17  8
17  18  8
4  10  8
4  19  8
5  17  8
5  19  8
7  18  8

$$$$