ethyl 5-methyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CN=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CN=C(C=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C21H26N6O2S/c1-4-29-21(28)18-14(2)17-19(24-13-25-20(17)30-18)23-12-15-5-6-16(22-11-15)27-9-7-26(3)8-10-27/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,23,24,25)