24891778
  -OEChem-04182405442D

 73 74  0     0  0  0  0  0  0999 V2000
   12.7986    5.7331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7986    7.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2150    6.6604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24891778

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MYBAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHwQQCAAADAzF3xa/v5/MHgioAzb3bACCiC0xOrAJ2Lo+fJiMbuLkuZuUMChs0BPo6CeQ0IMOIAAAgAAAIABAAAEAAABAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-butyl-2-(3-hexylsulfanyl-4-methoxy-phenyl)-7-methyl-imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-butyl-2-[3-(hexylthio)-4-methoxyphenyl]-7-methyl-3-imidazo[1,2-a]pyridinamine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-butyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
N-butyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-butyl-2-(3-hexylsulfanyl-4-methoxy-phenyl)-7-methyl-imidazo[1,2-a]pyridin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
butyl-[2-[3-(hexylthio)-4-methoxy-phenyl]-7-methyl-imidazo[1,2-a]pyridin-3-yl]amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H35N3OS.C2HF3O2/c1-5-7-9-10-16-30-22-18-20(11-12-21(22)29-4)24-25(26-14-8-6-2)28-15-13-19(3)17-23(28)27-24;3-2(4,5)1(6)7/h11-13,15,17-18,26H,5-10,14,16H2,1-4H3;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
RTRJSGNYMZTHQA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
539.24294768

> <PUBCHEM_MOLECULAR_FORMULA>
C27H36F3N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
539.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=CC(=CC3=N2)C)NCCCC)OC.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=CC(=CC3=N2)C)NCCCC)OC.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
539.24294768

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  14  8
11  12  8
14  23  8
18  25  8
18  28  8
21  29  8
23  27  8
25  26  8
26  30  8
27  29  8
28  31  8
30  31  8
8  11  8
8  14  8
8  21  8

$$$$