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

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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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)OC(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-10(2)29-20(28)12-4-6-13(7-5-12)22-14(24)8-23-9-21-17-15(18(23)25)11(3)16(30-17)19(26)27/h4-7,9-10H,8H2,1-3H3,(H,22,24)(H,26,27)