53092279
  -OEChem-05122404252D

 52 55  0     0  0  0  0  0  0999 V2000
   10.7404   -2.3047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7404   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53092279

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
781

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAEABQAAAHgQQAAAADAzl2AazxoPABAioAiVWdAKCGAFhIgAJiABPbMgOJiLEuZ+HOCjk1hHY6UeQwCAOIAAAQAAIEABAAACAABAgAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
HBCJEDWPGBAQHM-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=CSC3=N2)NC(=O)COC4=CC=CC=C4C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)OCC2=CC(=O)N3C=CSC3=N2)NC(=O)COC4=CC=CC=C4C

> <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  17  8
1  26  8
10  15  8
12  18  8
13  14  8
13  16  8
15  16  8
18  19  8
23  26  8
24  25  8
24  27  8
25  28  8
27  30  8
28  31  8
30  31  8
6  17  8
6  19  8
6  23  8
8  12  8
8  17  8
9  10  8
9  14  8

$$$$