5-tert-butyl-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-tert-butyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5-tert-butyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5-tert-butyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-tert-butyl-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

InChI

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