6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-pentan-3-yl-purine

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-pentan-3-yl-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpropyl)purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-pentan-3-ylpurine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-pentan-3-ylpurine Traditional Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-ethylpropyl)purine Formula: C19H21ClF2N4O MolecularWeight: 394.846046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(CC)CC)C3=C(C=C(C=C3)OC(F)F)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(CC)CC)C3=C(C=C(C=C3)OC(F)F)Cl

InChI

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