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

Systemtic Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one dihydrochloride Openeye Name: 2-isobutyl-5-methyl-4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyridazin-3-one dihydrochloride CAS Name: 5-methyl-4-(4-methyl-1-piperazinyl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-3-pyridazinone dihydrochloride IUPAC Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one dihydrochloride Traditional Name: 2-isobutyl-6-(4-mesylphenyl)-5-methyl-4-(4-methylpiperazino)pyridazin-3-one dihydrochloride Formula: C21H32Cl2N4O3S MolecularWeight: 491.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC(C)C)N3CCN(CC3)C.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC(C)C)N3CCN(CC3)C.Cl.Cl

InChI

InChI=1S/C21H30N4O3S.2ClH/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(9-7-17)29(5,27)28;;/h6-9,15H,10-14H2,1-5H3;2*1H