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

Systemtic Name: 3-bromanyl-4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-(1-naphthylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(1-naphthylmethyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C20H19BrN6 MolecularWeight: 423.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=NC=NC5=NNC(=C54)Br

InChI

InChI=1S/C20H19BrN6/c21-18-17-19(25-24-18)22-13-23-20(17)27-10-8-26(9-11-27)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2,(H,22,23,24,25)