5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-phenylazanyl-ethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-phenylazanyl-ethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(2-anilino-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-anilino-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(2-anilino-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(2-anilino-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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