5-methyl-3-(2-methylphenyl)sulfonyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-(2-methylphenyl)sulfonyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-2-methylsulfanyl-3-(o-tolylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-(2-methylphenyl)sulfonyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-(2-methylphenyl)sulfonyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-2-(methylthio)-3-(o-tolylsulfonyl)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C19H23N5O2S2 MolecularWeight: 417.54822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C2=C3N=C(C=C(N3N=C2SC)N4CCNCC4)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2=C3N=C(C=C(N3N=C2SC)N4CCNCC4)C

InChI

InChI=1S/C19H23N5O2S2/c1-13-6-4-5-7-15(13)28(25,26)17-18-21-14(2)12-16(23-10-8-20-9-11-23)24(18)22-19(17)27-3/h4-7,12,20H,8-11H2,1-3H3