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

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-[(3-methylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-methylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(m-toluidino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C20H21N3O4S/c1-5-27-20(25)17-12(3)16-18(21-13-8-6-7-11(2)9-13)22-14(10-15(24)26-4)23-19(16)28-17/h6-9H,5,10H2,1-4H3,(H,21,22,23)