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

Systemtic Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-(4-propan-2-ylphenyl)sulfonyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-isopropylphenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-2-(methylthio)-7-(1-piperazinyl)-3-(4-propan-2-ylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-(4-propan-2-ylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-2-(methylthio)-3-p-cumenylsulfonyl-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S2/c1-14(2)16-5-7-17(8-6-16)30(27,28)19-20-23-15(3)13-18(25-11-9-22-10-12-25)26(20)24-21(19)29-4/h5-8,13-14,22H,9-12H2,1-4H3