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

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

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N4O3S/c1-2-3-10-7-14(21)20-16(17-10)24-8-13-18-11-5-4-9(15(22)23)6-12(11)19-13/h4-7H,2-3,8H2,1H3,(H,18,19)(H,22,23)(H,17,20,21)