3,6-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-3,6-dimethyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-3,6-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-one Traditional Name: 5-benzyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

InChI

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