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

Systemtic Name: 2-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N4O3S/c1-8(2)11-6-14(21)20-16(19-11)24-7-13-17-10-4-3-9(15(22)23)5-12(10)18-13/h3-6,8H,7H2,1-2H3,(H,17,18)(H,22,23)(H,19,20,21)