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

Systemtic Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-[4-(trifluoromethyloxy)phenyl]sulfonyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-[4-(trifluoromethoxy)phenyl]sulfonyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-2-(methylthio)-7-(1-piperazinyl)-3-[4-(trifluoromethoxy)phenyl]sulfonylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-[4-(trifluoromethoxy)phenyl]sulfonylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-2-(methylthio)-7-piperazino-3-[4-(trifluoromethoxy)phenyl]sulfonyl-pyrazolo[1,5-a]pyrimidine Formula: C19H20F3N5O3S2 MolecularWeight: 487.51901

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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)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N5O3S2/c1-12-11-15(26-9-7-23-8-10-26)27-17(24-12)16(18(25-27)31-2)32(28,29)14-5-3-13(4-6-14)30-19(20,21)22/h3-6,11,23H,7-10H2,1-2H3