5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 2-isobutyl-5-methyl-4-(4-methylpiperazin-1-yl)-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 5-methyl-4-(4-methyl-1-piperazinyl)-2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 2-isobutyl-5-methyl-4-(4-methylpiperazino)-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC(C)C)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC(C)C)N3CCN(CC3)C

InChI

InChI=1S/C21H30N4OS/c1-15(2)14-25-21(26)20(24-12-10-23(4)11-13-24)16(3)19(22-25)17-6-8-18(27-5)9-7-17/h6-9,15H,10-14H2,1-5H3