5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN=C(NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-21-8-7-14(10-16(21)22)9-15-11-19-18(20-17(15)23)24-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H,19,20,23)