60025347
  -OEChem-05132423042D

 49 51  0     0  0  0  0  0  0999 V2000
    9.0084   -2.0547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    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
    2.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    4.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    4.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5762   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    0.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  4 47  1  0  0  0  0
  5 14  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  2  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  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
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 19  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60025347

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oABAAAAAAAAAAAAAAAAAASAAAAAsWAAAAAAAAFgB+AAAHgQQAAAADgjl1gaz0bfIFAikASRiZACDoKkhCrBJmLw4ZJiKKKLg2NGHJAxokAL4yCcQgEANAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-tert-butyl-N-(3-morpholinopropyl)thieno[3,2-d]pyrimidin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-tert-butyl-N-[3-(4-morpholinyl)propyl]-2-thieno[3,2-d]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-<I>tert</I>-butyl-<I>N</I>-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-tert-butyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-tert-butyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H26N4OS/c1-17(2,3)15-14-13(5-12-23-14)19-16(20-15)18-6-4-7-21-8-10-22-11-9-21/h5,12H,4,6-11H2,1-3H3,(H,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
PQHUSRRDAACFIF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
334.18273264

> <PUBCHEM_MOLECULAR_FORMULA>
C17H26N4OS

> <PUBCHEM_MOLECULAR_WEIGHT>
334.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=NC(=NC2=C1SC=C2)NCCCN3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=NC(=NC2=C1SC=C2)NCCCN3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
78.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.18273264

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  19  8
1  23  8
14  19  8
19  21  8
21  22  8
22  23  8
5  14  8
5  20  8
6  20  8
6  21  8

$$$$