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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClF2N4O/c1-4-6-11(3)26-15(5-2)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