6-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(1-methyl-2-benzimidazolyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[(1-methylbenzimidazol-2-yl)methylthio]pyrimidin-4-olate Formula: C14H13N4OS- MolecularWeight: 285.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2C)[O-]

InChI

InChI=1S/C14H14N4OS/c1-9-7-13(19)17-14(15-9)20-8-12-16-10-5-3-4-6-11(10)18(12)2/h3-7H,8H2,1-2H3,(H,15,17,19)/p-1