6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-7H-purine

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-7H-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-7H-purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-7H-purine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-7H-purine Traditional Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-7H-purine Formula: C14H11ClF2N4O MolecularWeight: 324.713146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=NC=NC(=C2N1)C3=C(C=C(C=C3)OC(F)F)Cl

Isomeric SMILES

CCC1=NC2=NC=NC(=C2N1)C3=C(C=C(C=C3)OC(F)F)Cl

InChI

InChI=1S/C14H11ClF2N4O/c1-2-10-20-12-11(18-6-19-13(12)21-10)8-4-3-7(5-9(8)15)22-14(16)17/h3-6,14H,2H2,1H3,(H,18,19,20,21)