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

Systemtic Name: 4-[(3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: 4-[(3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 4-[[(3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

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