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

Systemtic Name: propan-2-yl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-13(2)27-21(26)18-14(3)17-19(22-12-23-20(17)28-18)24-15-6-8-16(9-7-15)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23,24)