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

Systemtic Name: 2-methylpropyl 4-[(4-ethoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-ethoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-carbethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-5-27-20(25)14-6-8-15(9-7-14)24-18-16-13(4)17(21(26)28-10-12(2)3)29-19(16)23-11-22-18/h6-9,11-12H,5,10H2,1-4H3,(H,22,23,24)