6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-pentyl-purine

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-pentyl-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-pentyl-purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-pentylpurine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-pentylpurine Traditional Name: 9-amyl-6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-purine Formula: C19H21ClF2N4O MolecularWeight: 394.846046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)F)Cl)CC

Isomeric SMILES

CCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)F)Cl)CC

InChI

InChI=1S/C19H21ClF2N4O/c1-3-5-6-9-26-15(4-2)25-17-16(23-11-24-18(17)26)13-8-7-12(10-14(13)20)27-19(21)22/h7-8,10-11,19H,3-6,9H2,1-2H3