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

Systemtic Name: propan-2-yl 5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperazinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperazino)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)OC(C)C

InChI

InChI=1S/C22H27N5O2S/c1-14(2)29-22(28)19-15(3)18-20(23-13-24-21(18)30-19)25-16-5-7-17(8-6-16)27-11-9-26(4)10-12-27/h5-8,13-14H,9-12H2,1-4H3,(H,23,24,25)