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

Systemtic Name: 7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-isopropyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-7-(4-methyl-1-piperazinyl)-2-(methylthio)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-isopropyl-7-(4-methylpiperazino)-2-(methylthio)pyrazolo[1,5-a]pyrimidine Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S2/c1-15(2)17-14-18(25-12-10-24(3)11-13-25)26-20(22-17)19(21(23-26)29-4)30(27,28)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3