3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[(3-bromophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(3-bromobenzyl)-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H18BrN5 MolecularWeight: 360.25162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)CC3=CC(=CC=C3)Br)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)CC3=CC(=CC=C3)Br)C(=NC=N2)N

InChI

InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)