6-(phenylsulfanylmethyl)-2-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 6-(phenylsulfanylmethyl)-2-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 6-(phenylsulfanylmethyl)-2-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 6-[(phenylthio)methyl]-2-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 6-(phenylsulfanylmethyl)-2-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 6-[(phenylthio)methyl]-2-(4-pyridyl)-1H-pyrimidin-4-one Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3OS/c20-15-10-13(11-21-14-4-2-1-3-5-14)18-16(19-15)12-6-8-17-9-7-12/h1-10H,11H2,(H,18,19,20)