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

Systemtic Name: 5-cyclopropyl-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-cyclopropyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5-cyclopropyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5-cyclopropyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-cyclopropyl-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C4CC4)N5CCNCC5

Isomeric SMILES

CSC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C4CC4)N5CCNCC5

InChI

InChI=1S/C20H23N5O2S2/c1-28-20-18(29(26,27)15-5-3-2-4-6-15)19-22-16(14-7-8-14)13-17(25(19)23-20)24-11-9-21-10-12-24/h2-6,13-14,21H,7-12H2,1H3