1-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid Openeye Name: 1-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid CAS Name: 1-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-[2-(methylthio)pyrimidin-4-yl]benzimidazole-5-carboxylic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C13H10N4O2S/c1-20-13-14-5-4-11(16-13)17-7-15-9-6-8(12(18)19)2-3-10(9)17/h2-7H,1H3,(H,18,19)