5-[(6-methylpyridin-3-yl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-13-7-8-15(10-19-13)9-16-11-20-18(21-17(16)22)23-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H,20,21,22)