8-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)-7H-purin-2-amine

Systemtic Name: 8-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)-7H-purin-2-amine Openeye Name: 8-butyl-N-phenyl-6-(3-pyridylmethoxy)-7H-purin-2-amine CAS Name: 8-butyl-N-phenyl-6-(3-pyridinylmethoxy)-7H-purin-2-amine IUPAC Name: 8-butyl-N-phenyl-6-(pyridin-3-ylmethoxy)-7H-purin-2-amine Traditional Name: [8-butyl-6-(3-pyridylmethoxy)-7H-purin-2-yl]-phenyl-amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

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