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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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