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

Systemtic Name: 3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-oxo-2-(1-piperidinyl)ethyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(2-keto-2-piperidino-ethyl)-6-phenyl-pyrimidin-4-one Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-22-16-21(20-12-6-2-7-13-20)25-24(30-18-19-10-4-1-5-11-19)27(22)17-23(29)26-14-8-3-9-15-26/h1-2,4-7,10-13,16H,3,8-9,14-15,17-18H2