3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one Openeye Name: 3,6-dimethyl-5-(o-tolylmethyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinone IUPAC Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3,6-dimethyl-5-(2-methylbenzyl)pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C21H27N3O2S/c1-15-9-5-6-10-17(15)13-18-16(2)22-21(23(3)20(18)26)27-14-19(25)24-11-7-4-8-12-24/h5-6,9-10H,4,7-8,11-14H2,1-3H3