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

Systemtic Name: 3-[2-(6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c1-9-5-12-14(24-9)17-8-19(15(12)21)7-13(20)18-11-4-2-3-10(6-11)16(22)23/h2-6,8H,7H2,1H3,(H,18,20)(H,22,23)