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

Systemtic Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(4-propan-2-ylphenyl)sulfonyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-isopropylphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-7-(4-methyl-1-piperazinyl)-2-(methylthio)-3-(4-propan-2-ylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(4-propan-2-ylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-(4-methylpiperazino)-2-(methylthio)-3-p-cumenylsulfonyl-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)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

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