3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-(4-tert-butylphenyl)sulfonyl-5-methyl-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C22H29N5O2S2 MolecularWeight: 459.62796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C22H29N5O2S2/c1-15-14-18(26-12-10-23-11-13-26)27-20(24-15)19(21(25-27)30-5)31(28,29)17-8-6-16(7-9-17)22(2,3)4/h6-9,14,23H,10-13H2,1-5H3