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

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-12-15(9-13-5-3-2-4-6-13)19(26)25-21(22-12)29-11-18-23-16-8-7-14(20(27)28)10-17(16)24-18/h2-8,10H,9,11H2,1H3,(H,23,24)(H,27,28)(H,22,25,26)