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

Systemtic Name: 2-methylpropyl 5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H29N5O2S MolecularWeight: 439.57366

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2S/c1-15(2)13-30-23(29)20-16(3)19-21(24-14-25-22(19)31-20)26-17-5-7-18(8-6-17)28-11-9-27(4)10-12-28/h5-8,14-15H,9-13H2,1-4H3,(H,24,25,26)