6-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-methylpiperidino)ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2S/c1-14-9-11-24(12-10-14)19(25)13-18-15(2)22-21(23-20(18)26)27-16(3)17-7-5-4-6-8-17/h4-8,14,16H,9-13H2,1-3H3,(H,22,23,26)