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

Systemtic Name: 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[(4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-14(2)16-6-8-17(9-7-16)19-12-29-21-20(19)22(26)25(13-24-21)11-15-4-3-5-18(10-15)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,27,28)