3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-[2-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2-pyrrolidinophenyl)propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C25H28N4O2S/c1-18-20(24(31)28-25(26-18)32-17-19-9-3-2-4-10-19)13-14-23(30)27-21-11-5-6-12-22(21)29-15-7-8-16-29/h2-6,9-12H,7-8,13-17H2,1H3,(H,27,30)(H,26,28,31)