N-butyl-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-butyl-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-5-methyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H26N6OS MolecularWeight: 410.53574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H26N6OS/c1-3-4-8-23-20(28)18-15(2)17-19(24-14-25-21(17)29-18)27-12-10-26(11-13-27)16-7-5-6-9-22-16/h5-7,9,14H,3-4,8,10-13H2,1-2H3,(H,23,28)