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

Systemtic Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-piperidino-ethanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SCC(=O)N4CCCCC4

InChI

InChI=1S/C20H23N5O2S/c1-14-15-12-21-25(16-8-4-5-9-17(16)27-2)19(15)20(23-22-14)28-13-18(26)24-10-6-3-7-11-24/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3