4-methyl-3-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid CAS Name: 4-methyl-3-[[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=C(S2)N=CNC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=C(S2)N=CNC3=O)C

InChI

InChI=1S/C16H13N3O4S/c1-7-3-4-9(16(22)23)5-10(7)19-14(21)12-8(2)11-13(20)17-6-18-15(11)24-12/h3-6H,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)