N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-2-(4-pyridylthio)acetamide Formula: C25H25N7OS MolecularWeight: 471.5773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CSC3=CC=NC=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CSC3=CC=NC=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N7OS/c1-18-15-23(31-11-13-32(14-12-31)25-27-7-2-8-28-25)30-22-4-3-19(16-21(18)22)29-24(33)17-34-20-5-9-26-10-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,29,33)