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

Systemtic Name: 4-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-carbamoyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(6-carbamoyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(6-carbamoyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5S/c1-8-12-15(27-13(8)14(18)23)19-7-21(16(12)24)6-11(22)20-10-4-2-9(3-5-10)17(25)26/h2-5,7H,6H2,1H3,(H2,18,23)(H,20,22)(H,25,26)