5-methyl-3-(3-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-(3-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(m-tolylsulfonyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-(3-methylphenyl)sulfonyl-7-(4-methyl-1-piperazinyl)-2-(methylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-(3-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-(4-methylpiperazino)-2-(methylthio)-3-(m-tolylsulfonyl)pyrazolo[1,5-a]pyrimidine Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=C3N=C(C=C(N3N=C2SC)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=C3N=C(C=C(N3N=C2SC)N4CCN(CC4)C)C

InChI

InChI=1S/C20H25N5O2S2/c1-14-6-5-7-16(12-14)29(26,27)18-19-21-15(2)13-17(25(19)22-20(18)28-4)24-10-8-23(3)9-11-24/h5-7,12-13H,8-11H2,1-4H3