5,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 5,6-dimethyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5,6-dimethyl-pyrimidin-4-olate Formula: C13H13N2OS- MolecularWeight: 245.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C13H14N2OS/c1-9-10(2)14-13(15-12(9)16)17-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,15,16)/p-1