N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-oxo-3-pyrido[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-ketopyrido[2,3-d]pyrimidin-3-yl)acetamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O4S/c1-16-8-9-17(13-19(16)32(30,31)27-11-4-2-3-5-12-27)25-20(28)14-26-15-24-21-18(22(26)29)7-6-10-23-21/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,25,28)