2-cyclopropyl-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(3-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 2-cyclopropyl-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(3-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 2-cyclopropyl-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(3-methylsulfanylphenyl)pyridazin-3-one CAS Name: 2-cyclopropyl-5-methyl-4-[(4-methyl-1-piperazinyl)methyl]-6-[3-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 2-cyclopropyl-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(3-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 2-cyclopropyl-5-methyl-4-[(4-methylpiperazino)methyl]-6-[3-(methylthio)phenyl]pyridazin-3-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC(=CC=C2)SC)C3CC3)CN4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC(=CC=C2)SC)C3CC3)CN4CCN(CC4)C

InChI

InChI=1S/C21H28N4OS/c1-15-19(14-24-11-9-23(2)10-12-24)21(26)25(17-7-8-17)22-20(15)16-5-4-6-18(13-16)27-3/h4-6,13,17H,7-12,14H2,1-3H3