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

Systemtic Name: 2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-7-piperazin-1-yl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-7-(1-piperazinyl)-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanyl-7-piperazin-1-yl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-2-(methylthio)-7-piperazino-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2S2/c1-3-7-15-14-17(24-12-10-21-11-13-24)25-19(22-15)18(20(23-25)28-2)29(26,27)16-8-5-4-6-9-16/h4-6,8-9,14,21H,3,7,10-13H2,1-2H3