9-butyl-N-phenyl-6-(pyridin-4-ylmethoxy)purin-2-amine

Systemtic Name: 9-butyl-N-phenyl-6-(pyridin-4-ylmethoxy)purin-2-amine Openeye Name: 9-butyl-N-phenyl-6-(4-pyridylmethoxy)purin-2-amine CAS Name: 9-butyl-N-phenyl-6-(pyridin-4-ylmethoxy)-2-purinamine IUPAC Name: 9-butyl-N-phenyl-6-(pyridin-4-ylmethoxy)purin-2-amine Traditional Name: [9-butyl-6-(4-pyridylmethoxy)purin-2-yl]-phenyl-amine Formula: C21H22N6O MolecularWeight: 374.43898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC3=CC=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC3=CC=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-2-3-13-27-15-23-18-19(27)25-21(24-17-7-5-4-6-8-17)26-20(18)28-14-16-9-11-22-12-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,24,25,26)