5-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[6-methyl-4-oxo-5-(p-tolylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[4-keto-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thenoic acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(S3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(S3)C(=O)O)C

InChI

InChI=1S/C19H18N2O3S2/c1-11-3-5-13(6-4-11)9-15-12(2)20-19(21-17(15)22)25-10-14-7-8-16(26-14)18(23)24/h3-8H,9-10H2,1-2H3,(H,23,24)(H,20,21,22)