198119
  -OEChem-06191310512D

 34 35  0     1  0  0  0  0  0999 V2000
    6.1051    0.5982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    5.6696    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4408    6.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087    5.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748    6.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0748    4.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588    1.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2078    0.5939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2078    2.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.4030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1051    2.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588    0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6887    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600    2.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    2.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385    0.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424    2.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    2.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    0.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    1.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777    5.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    5.4796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3848    7.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  1  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
198119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAJAAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAQAAABAAAAHAQACCAADCjFWASxAIMAABigQiBCJICCEAFgABAJiAAIBIgIYCKAmRGUIABggACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole;phosphoric acid

> <PUBCHEM_IUPAC_CAS_NAME>
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole;phosphoric acid

> <PUBCHEM_IUPAC_NAME>
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;phosphoric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;phosphoric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole;phosphoric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2S.H3O4P/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-5(2,3)4/h1-5,10H,6-8H2;(H3,1,2,3,4)/t10-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
QEMMFDPTLWDHKP-HNCPQSOCSA-N

> <PUBCHEM_EXACT_MASS>
302.049015

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15N2O4PS

> <PUBCHEM_MOLECULAR_WEIGHT>
302.286562

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CSC2=NC(CN21)C3=CC=CC=C3.OP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CSC2=N[C@H](CN21)C3=CC=CC=C3.OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.049015

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
10  14  5
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$