2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-7-4-12(19)18-14(15-7)22-6-11-16-9-3-2-8(13(20)21)5-10(9)17-11/h2-5H,6H2,1H3,(H,16,17)(H,20,21)(H,15,18,19)