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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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