3-bromanyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=NC=NC5=NNC(=C54)Br

InChI

InChI=1S/C18H19BrN6O2/c19-16-15-17(23-22-16)20-11-21-18(15)25-5-3-24(4-6-25)10-12-1-2-13-14(9-12)27-8-7-26-13/h1-2,9,11H,3-8,10H2,(H,20,21,22,23)