4-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 4-[2-(4-acetyl-4-phenyl-1-piperidyl)-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 4-[2-(4-acetyl-4-phenyl-1-piperidinyl)-4-methyl-7-oxo-8-pyrido[2,3-d]pyrimidinyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 4-[2-(4-acetyl-4-phenylpiperidin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: 4-[2-(4-acetyl-4-phenyl-piperidino)-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]-N-(4-mesylbenzyl)benzamide Formula: C36H35N5O5S MolecularWeight: 649.7586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC(CC3)(C4=CC=CC=C4)C(=O)C)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)S(=O)(=O)C

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC(CC3)(C4=CC=CC=C4)C(=O)C)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)S(=O)(=O)C

InChI

InChI=1S/C36H35N5O5S/c1-24-31-17-18-32(43)41(29-13-11-27(12-14-29)34(44)37-23-26-9-15-30(16-10-26)47(3,45)46)33(31)39-35(38-24)40-21-19-36(20-22-40,25(2)42)28-7-5-4-6-8-28/h4-18H,19-23H2,1-3H3,(H,37,44)