5-[(2-methoxypyridin-4-yl)methyl]-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(2-methoxypyridin-4-yl)methyl]-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-benzylsulfanyl-5-[(2-methoxy-4-pyridyl)methyl]pyrimidin-4-one CAS Name: 5-[(2-methoxy-4-pyridinyl)methyl]-1-(phenylmethyl)-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 1-benzyl-2-benzylsulfanyl-5-[(2-methoxypyridin-4-yl)methyl]pyrimidin-4-one Traditional Name: 1-benzyl-2-(benzylthio)-5-[(2-methoxy-4-pyridyl)methyl]pyrimidin-4-one Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-30-23-15-21(12-13-26-23)14-22-17-28(16-19-8-4-2-5-9-19)25(27-24(22)29)31-18-20-10-6-3-7-11-20/h2-13,15,17H,14,16,18H2,1H3