7-chloranyl-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-chloranyl-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-7-chloro-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-7-chloro-5-[(4-methyl-1-piperazinyl)methyl]-2-(methylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-7-chloro-5-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-7-chloro-5-[(4-methylpiperazino)methyl]-2-(methylthio)pyrazolo[1,5-a]pyrimidine Formula: C19H22ClN5O2S2 MolecularWeight: 451.99328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C(=NN3C(=C2)Cl)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C(=NN3C(=C2)Cl)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H22ClN5O2S2/c1-23-8-10-24(11-9-23)13-14-12-16(20)25-18(21-14)17(19(22-25)28-2)29(26,27)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3