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

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

CCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

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