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

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-hexan-2-yl-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-methylpentyl)purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-hexan-2-ylpurine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-hexan-2-ylpurine Traditional Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-methylpentyl)purine Formula: C20H23ClF2N4O MolecularWeight: 408.872626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)F)Cl)CC

Isomeric SMILES

CCCCC(C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)OC(F)F)Cl)CC

InChI

InChI=1S/C20H23ClF2N4O/c1-4-6-7-12(3)27-16(5-2)26-18-17(24-11-25-19(18)27)14-9-8-13(10-15(14)21)28-20(22)23/h8-12,20H,4-7H2,1-3H3