3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one Openeye Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-(phenethylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenethylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-(2-keto-2-pyrrolidino-ethyl)-2-(phenethylthio)-6-phenyl-pyrimidin-4-one Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

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