6-[2,2-bis(fluoranyl)ethoxy]-9-butyl-N-(6-ethoxypyridin-3-yl)purin-2-amine

Systemtic Name: 6-[2,2-bis(fluoranyl)ethoxy]-9-butyl-N-(6-ethoxypyridin-3-yl)purin-2-amine Openeye Name: 9-butyl-6-(2,2-difluoroethoxy)-N-(6-ethoxy-3-pyridyl)purin-2-amine CAS Name: 9-butyl-6-(2,2-difluoroethoxy)-N-(6-ethoxy-3-pyridinyl)-2-purinamine IUPAC Name: 9-butyl-6-(2,2-difluoroethoxy)-N-(6-ethoxypyridin-3-yl)purin-2-amine Traditional Name: [9-butyl-6-(2,2-difluoroethoxy)purin-2-yl]-(6-ethoxy-3-pyridyl)amine Formula: C18H22F2N6O2 MolecularWeight: 392.403086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC(F)F)NC3=CN=C(C=C3)OCC

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC(F)F)NC3=CN=C(C=C3)OCC

InChI

InChI=1S/C18H22F2N6O2/c1-3-5-8-26-11-22-15-16(26)24-18(25-17(15)28-10-13(19)20)23-12-6-7-14(21-9-12)27-4-2/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,23,24,25)