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

Systemtic Name: ethyl 4-[(2-ethoxyphenyl)amino]-2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-ethoxyanilino)-2-(2-methoxy-2-oxo-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-ethoxyanilino)-2-(2-methoxy-2-oxoethyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxyanilino)-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(o-phenetidino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)CC(=O)OC)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)CC(=O)OC)C(=O)OCC)C

InChI

InChI=1S/C21H23N3O5S/c1-5-28-14-10-8-7-9-13(14)22-19-17-12(3)18(21(26)29-6-2)30-20(17)24-15(23-19)11-16(25)27-4/h7-10H,5-6,11H2,1-4H3,(H,22,23,24)