5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(phenylmethylsulfanyl)-1-(pyridin-3-ylmethyl)pyrimidin-4-one

Systemtic Name: 5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-2-(phenylmethylsulfanyl)-1-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-(phenylmethylthio)-1-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-(3-pyridylmethyl)pyrimidin-4-one Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-27-11-9-19(13-22(27)29)12-21-16-28(15-20-8-5-10-25-14-20)24(26-23(21)30)31-17-18-6-3-2-4-7-18/h2-11,13-14,16H,12,15,17H2,1H3