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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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