6-(2-chloranyl-5-fluoranyl-4-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine

Systemtic Name: 6-(2-chloranyl-5-fluoranyl-4-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-(2-chloro-5-fluoro-4-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-(2-chloro-5-fluoro-4-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-(2-chloro-5-fluoro-4-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-(2-chloro-5-fluoro-4-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C21H22ClFN4 MolecularWeight: 384.877583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC(=C(C=C5Cl)C)F

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC(=C(C=C5Cl)C)F

InChI

InChI=1S/C21H22ClFN4/c1-3-17-26-19-18(14-9-16(23)11(2)8-15(14)22)24-10-25-21(19)27(17)20(12-4-5-12)13-6-7-13/h8-10,12-13,20H,3-7H2,1-2H3