ethyl 5-methyl-4-[[4-(2-methylpropoxycarbonyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[4-(2-methylpropoxycarbonyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-isobutoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-[2-methylpropoxy(oxo)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(2-methylpropoxycarbonyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-isobutoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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