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

Systemtic Name: 3-bromanyl-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(4-chlorobenzyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C16H16BrClN6 MolecularWeight: 407.69544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN6/c17-14-13-15(22-21-14)19-10-20-16(13)24-7-5-23(6-8-24)9-11-1-3-12(18)4-2-11/h1-4,10H,5-9H2,(H,19,20,21,22)