2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C15H14N4O2S/c1-8-5-9(2)17-15(16-8)22-7-13-18-11-4-3-10(14(20)21)6-12(11)19-13/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)