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

Systemtic Name: 3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c1-9-13-15(28-14(9)17(24)25)19-8-21(16(13)23)7-12(22)20-11-5-3-10(4-6-11)18(26)27-2/h3-6,8H,7H2,1-2H3,(H,20,22)(H,24,25)