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

Systemtic Name: 7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-5-one Openeye Name: 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-one CAS Name: 3-(benzenesulfonyl)-7-(4-methyl-1-piperazinyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-5-one IUPAC Name: 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-one Traditional Name: 3-besyl-7-(4-methylpiperazino)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-5-one Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=O)N=C3N2NC(=C3S(=O)(=O)C4=CC=CC=C4)SC

Isomeric SMILES

CN1CCN(CC1)C2=CC(=O)N=C3N2NC(=C3S(=O)(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C18H21N5O3S2/c1-21-8-10-22(11-9-21)15-12-14(24)19-17-16(18(27-2)20-23(15)17)28(25,26)13-6-4-3-5-7-13/h3-7,12,20H,8-11H2,1-2H3