4-[4-methyl-2-(1-methylimidazol-2-yl)sulfanyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[4-methyl-2-(1-methylimidazol-2-yl)sulfanyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-[4-methyl-2-(1-methylimidazol-2-yl)sulfanyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-[4-methyl-2-[(1-methyl-2-imidazolyl)thio]-7-oxo-8-pyrido[2,3-d]pyrimidinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-[4-methyl-2-(1-methylimidazol-2-yl)sulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-[7-keto-4-methyl-2-[(1-methylimidazol-2-yl)thio]pyrido[2,3-d]pyrimidin-8-yl]-N-[4-(trifluoromethyl)benzyl]benzamide Formula: C27H21F3N6O2S MolecularWeight: 550.55485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)SC3=NC=CN3C)C4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)SC3=NC=CN3C)C4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C27H21F3N6O2S/c1-16-21-11-12-22(37)36(23(21)34-25(33-16)39-26-31-13-14-35(26)2)20-9-5-18(6-10-20)24(38)32-15-17-3-7-19(8-4-17)27(28,29)30/h3-14H,15H2,1-2H3,(H,32,38)