6-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-keto-2-pyrrolidino-ethyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O2S/c1-13-15(11-16(22)21-9-5-6-10-21)17(23)20-18(19-13)24-12-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3,(H,19,20,23)