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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-quinolin-5-yl-propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(5-quinolyl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-(5-quinolinyl)propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-quinolin-5-ylpropanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(5-quinolyl)propionamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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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=CC4=C3C=CC=N4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C24H22N4O2S/c1-16-18(23(30)28-24(26-16)31-15-17-7-3-2-4-8-17)12-13-22(29)27-21-11-5-10-20-19(21)9-6-14-25-20/h2-11,14H,12-13,15H2,1H3,(H,27,29)(H,26,28,30)