6-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-(4-methyl-1-piperidyl)-3-oxo-propyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-keto-3-(4-methylpiperidino)propyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2S/c1-15-10-12-24(13-11-15)19(25)9-8-18-16(2)22-21(23-20(18)26)27-14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3,(H,22,23,26)