6-methyl-3-[(4-methylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-2-oxidanyl-1-(phenylmethyl)pyridin-4-one

Systemtic Name: 6-methyl-3-[(4-methylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-2-oxidanyl-1-(phenylmethyl)pyridin-4-one Openeye Name: 1-benzyl-2-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-4-one CAS Name: 2-hydroxy-6-methyl-3-[(4-methyl-1-piperazinyl)-[4-(methylthio)phenyl]methyl]-1-(phenylmethyl)-4-pyridinone IUPAC Name: 1-benzyl-2-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-4-one Traditional Name: 1-benzyl-2-hydroxy-6-methyl-3-[(4-methylpiperazino)-[4-(methylthio)phenyl]methyl]-4-pyridone Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=C2)O)C(C3=CC=C(C=C3)SC)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=C2)O)C(C3=CC=C(C=C3)SC)N4CCN(CC4)C

InChI

InChI=1S/C26H31N3O2S/c1-19-17-23(30)24(26(31)29(19)18-20-7-5-4-6-8-20)25(28-15-13-27(2)14-16-28)21-9-11-22(32-3)12-10-21/h4-12,17,25,31H,13-16,18H2,1-3H3