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

Systemtic Name: 3-bromanyl-4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(4-tert-butylbenzyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C20H25BrN6 MolecularWeight: 429.3567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN6/c1-20(2,3)15-6-4-14(5-7-15)12-26-8-10-27(11-9-26)19-16-17(21)24-25-18(16)22-13-23-19/h4-7,13H,8-12H2,1-3H3,(H,22,23,24,25)