ethyl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-pyrrolidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(1-pyrrolidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-pyrrolidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-pyrrolidinoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C20H22N4O2S/c1-3-26-20(25)17-13(2)16-18(21-12-22-19(16)27-17)23-14-6-8-15(9-7-14)24-10-4-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,22,23)