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

Systemtic Name: 3-[(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(6-carbamoyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(6-carbamoyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(6-carbamoyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)N

InChI

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