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

Systemtic Name: 3-bromanyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-(m-tolylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(3-methylbenzyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C17H19BrN6 MolecularWeight: 387.27696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC=NC4=NNC(=C43)Br

InChI

InChI=1S/C17H19BrN6/c1-12-3-2-4-13(9-12)10-23-5-7-24(8-6-23)17-14-15(18)21-22-16(14)19-11-20-17/h2-4,9,11H,5-8,10H2,1H3,(H,19,20,21,22)