9-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)purin-2-amine

Systemtic Name: 9-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)purin-2-amine Openeye Name: 9-butyl-N-phenyl-6-(3-pyridylmethoxy)purin-2-amine CAS Name: 9-butyl-N-phenyl-6-(3-pyridinylmethoxy)-2-purinamine IUPAC Name: 9-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)purin-2-amine Traditional Name: [9-butyl-6-(3-pyridylmethoxy)purin-2-yl]-phenyl-amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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