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

Systemtic Name: ethyl 5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C21H25N5O2S/c1-4-28-21(27)18-14(2)17-19(22-13-23-20(17)29-18)24-15-5-7-16(8-6-15)26-11-9-25(3)10-12-26/h5-8,13H,4,9-12H2,1-3H3,(H,22,23,24)