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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C15H14N4O3S/c1-7-8(2)16-15(19-13(7)20)23-6-12-17-10-4-3-9(14(21)22)5-11(10)18-12/h3-5H,6H2,1-2H3,(H,17,18)(H,21,22)(H,16,19,20)