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

Systemtic Name: 6-(2-chloranyl-5-fluoranyl-4-methoxy-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-(2-chloro-5-fluoro-4-methoxy-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-(2-chloro-5-fluoro-4-methoxyphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-(2-chloro-5-fluoro-4-methoxyphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-(2-chloro-5-fluoro-4-methoxy-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4O/c1-3-17-26-19-18(13-8-15(23)16(28-2)9-14(13)22)24-10-25-21(19)27(17)20(11-4-5-11)12-6-7-12/h8-12,20H,3-7H2,1-2H3