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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CN3CCN(CC3)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CN3CCN(CC3)C

InChI

InChI=1S/C21H30N4OS/c1-16(2)14-25-21(26)18(15-24-11-9-23(3)10-12-24)13-20(22-25)17-5-7-19(27-4)8-6-17/h5-8,13,16H,9-12,14-15H2,1-4H3