2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H25N7OS MolecularWeight: 459.5666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C24H25N7OS/c1-17-15-18(2)28-31-22(17)21(19-7-4-3-5-8-19)27-24(31)33-16-20(32)29-11-13-30(14-12-29)23-25-9-6-10-26-23/h3-10,15H,11-14,16H2,1-2H3