cyclohexyl 3-[2-[(3-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 3-[2-[(3-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[2-(3-ethoxycarbonylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(3-carbethoxyanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C25H27N3O6S/c1-3-33-24(31)16-8-7-9-17(12-16)27-19(29)13-28-14-26-22-20(23(28)30)15(2)21(35-22)25(32)34-18-10-5-4-6-11-18/h7-9,12,14,18H,3-6,10-11,13H2,1-2H3,(H,27,29)