1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[(2-chlorophenyl)methyl]-N-isopentyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-chlorobenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]-isoamyl-amine Formula: C17H20ClN5 MolecularWeight: 329.8272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC2=C1C=NN2CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC2=C1C=NN2CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN5/c1-12(2)7-8-19-16-14-9-22-23(17(14)21-11-20-16)10-13-5-3-4-6-15(13)18/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,19,20,21)