3-bromanyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-[4-(trifluoromethyl)benzyl]piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C17H16BrF3N6 MolecularWeight: 441.24835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(F)(F)F)C3=NC=NC4=NNC(=C43)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(F)(F)F)C3=NC=NC4=NNC(=C43)Br

InChI

InChI=1S/C17H16BrF3N6/c18-14-13-15(25-24-14)22-10-23-16(13)27-7-5-26(6-8-27)9-11-1-3-12(4-2-11)17(19,20)21/h1-4,10H,5-9H2,(H,22,23,24,25)