5-methyl-6-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-6-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-methyl-6-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5-methyl-6-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5-methyl-6-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-methyl-6-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1SC)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1SC)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5O2S2/c1-13-16(26-2)18(22-10-8-19-9-11-22)23-17(21-13)15(12-20-23)27(24,25)14-6-4-3-5-7-14/h3-7,12,19H,8-11H2,1-2H3