2-[5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol

Systemtic Name: 2-[5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol Openeye Name: 2-[3-(benzenesulfonyl)-5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanol CAS Name: 2-[3-(benzenesulfonyl)-5-methyl-7-(4-methyl-1-piperazinyl)-2-(methylthio)-6-pyrazolo[1,5-a]pyrimidinyl]ethanol IUPAC Name: 2-[3-(benzenesulfonyl)-5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol Traditional Name: 2-[3-besyl-5-methyl-7-(4-methylpiperazino)-2-(methylthio)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CCO)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CCO)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3S2/c1-15-17(9-14-27)21(25-12-10-24(2)11-13-25)26-19(22-15)18(20(23-26)30-3)31(28,29)16-7-5-4-6-8-16/h4-8,27H,9-14H2,1-3H3