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

Systemtic Name: 6-[4-[bis(fluoranyl)methoxy]-2-chloranyl-phenyl]-8-ethyl-9-heptan-2-yl-purine Openeye Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-methylhexyl)purine CAS Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-heptan-2-ylpurine IUPAC Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-heptan-2-ylpurine Traditional Name: 6-[2-chloro-4-(difluoromethoxy)phenyl]-8-ethyl-9-(1-methylhexyl)purine Formula: C21H25ClF2N4O MolecularWeight: 422.899206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClF2N4O/c1-4-6-7-8-13(3)28-17(5-2)27-19-18(25-12-26-20(19)28)15-10-9-14(11-16(15)22)29-21(23)24/h9-13,21H,4-8H2,1-3H3