2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-pyrimidin-4-olate Formula: C13H11N4OS- MolecularWeight: 271.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C13H12N4OS/c1-8-6-12(18)17-13(14-8)19-7-11-15-9-4-2-3-5-10(9)16-11/h2-6H,7H2,1H3,(H,15,16)(H,14,17,18)/p-1