3-[[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-13-5-7-15(8-6-13)17-11-27-19-18(17)20(24)23(12-22-19)10-14-3-2-4-16(9-14)21(25)26/h2-9,11-12H,10H2,1H3,(H,25,26)