53092407
  -OEChem-04242419342D

 52 55  0     0  0  0  0  0  0999 V2000
    9.8744    1.6953    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4580    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0670    3.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53092407

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
788

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAEABQAAAHgQQAAAADAzh2AYzxoPABAioAiVWdAKCGAFhIhAJiABPbMgOJiLEuZ+HOCjk1hHY6UeQwAAOIAAAQAAAEABAAACAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxy-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[5-methyl-2-[(2-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methoxy]phenyl]-2-phenoxyacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide

> <PUBCHEM_IUPAC_NAME>
N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[5-methyl-2-[(2-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxy-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(5-keto-2-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]-5-methyl-phenyl]-2-phenoxy-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H21N3O4S/c1-15-8-9-20(19(10-15)25-21(27)14-29-18-6-4-3-5-7-18)30-13-17-11-22(28)26-12-16(2)31-23(26)24-17/h3-12H,13-14H2,1-2H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
CWBZWXXUCHFVCK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
435.12527733

> <PUBCHEM_MOLECULAR_FORMULA>
C23H21N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
435.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)OCC2=CC(=O)N3C=C(SC3=N2)C)NC(=O)COC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)OCC2=CC(=O)N3C=C(SC3=N2)C)NC(=O)COC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
435.12527733

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  17  8
12  13  8
12  20  8
13  19  8
14  16  8
15  17  8
18  19  8
18  21  8
20  21  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
30  31  8
6  11  8
6  14  8
6  15  8
7  11  8
7  9  8
9  16  8

$$$$