2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-pyrimidin-4-olate Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-pyrimidin-4-olate CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-methyl-4-pyrimidinolate IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methylpyrimidin-4-olate Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-methyl-pyrimidin-4-olate Formula: C13H11N4OS- MolecularWeight: 271.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1[O-])SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CN=C(N=C1[O-])SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H12N4OS/c1-8-6-14-13(17-12(8)18)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