2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2S/c1-18-20-16-26-31(21-10-6-7-11-22(21)33-2)24(20)25(28-27-18)34-17-23(32)30-14-12-29(13-15-30)19-8-4-3-5-9-19/h3-11,16H,12-15,17H2,1-2H3