3-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid Openeye Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid CAS Name: 3-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzimidazole-5-carboxylic acid Traditional Name: 3-[2-(methylthio)pyrimidin-4-yl]benzimidazole-5-carboxylic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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