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

Systemtic Name: ethyl 4-[(4-butoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-butoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-butoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

InChI

InChI=1S/C20H23N3O3S/c1-4-6-11-26-15-9-7-14(8-10-15)23-18-16-13(3)17(20(24)25-5-2)27-19(16)22-12-21-18/h7-10,12H,4-6,11H2,1-3H3,(H,21,22,23)