ethyl 5-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[3-[4-(2-pyrimidyl)piperazino]propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H27N7O2S/c1-3-30-20(29)17-15(2)16-18(25-14-26-19(16)31-17)22-8-5-9-27-10-12-28(13-11-27)21-23-6-4-7-24-21/h4,6-7,14H,3,5,8-13H2,1-2H3,(H,22,25,26)