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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCC4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCC4)C(=O)OCC(C)C

InChI

InChI=1S/C22H26N4O2S/c1-14(2)12-28-22(27)19-15(3)18-20(23-13-24-21(18)29-19)25-16-6-8-17(9-7-16)26-10-4-5-11-26/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24,25)