5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-5-[(4-methyl-1-piperazinyl)methyl]-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-5-[(4-methylpiperazino)methyl]-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C19H23N5O3S2 MolecularWeight: 433.54762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=O)N3C(=N2)C(=C(N3)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=O)N3C(=N2)C(=C(N3)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3S2/c1-22-8-10-23(11-9-22)13-14-12-16(25)24-18(20-14)17(19(21-24)28-2)29(26,27)15-6-4-3-5-7-15/h3-7,12,21H,8-11,13H2,1-2H3