6-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 6-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]pyrimidin-4-one CAS Name: 6-methyl-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(2-keto-2-piperidino-ethyl)-6-methyl-pyrimidin-4-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O2S/c1-15-12-17(23)22(13-18(24)21-10-6-3-7-11-21)19(20-15)25-14-16-8-4-2-5-9-16/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3