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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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