2-[2,6-bis(fluoranyl)phenoxy]-N-(2-chloranyl-5-methyl-phenyl)-9-ethyl-purin-8-amine

Systemtic Name: 2-[2,6-bis(fluoranyl)phenoxy]-N-(2-chloranyl-5-methyl-phenyl)-9-ethyl-purin-8-amine Openeye Name: N-(2-chloro-5-methyl-phenyl)-2-(2,6-difluorophenoxy)-9-ethyl-purin-8-amine CAS Name: N-(2-chloro-5-methylphenyl)-2-(2,6-difluorophenoxy)-9-ethyl-8-purinamine IUPAC Name: N-(2-chloro-5-methylphenyl)-2-(2,6-difluorophenoxy)-9-ethylpurin-8-amine Traditional Name: (2-chloro-5-methyl-phenyl)-[2-(2,6-difluorophenoxy)-9-ethyl-purin-8-yl]amine Formula: C20H16ClF2N5O MolecularWeight: 415.823746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=NC=C2N=C1NC3=C(C=CC(=C3)C)Cl)OC4=C(C=CC=C4F)F

Isomeric SMILES

CCN1C2=NC(=NC=C2N=C1NC3=C(C=CC(=C3)C)Cl)OC4=C(C=CC=C4F)F

InChI

InChI=1S/C20H16ClF2N5O/c1-3-28-18-16(26-19(28)25-15-9-11(2)7-8-12(15)21)10-24-20(27-18)29-17-13(22)5-4-6-14(17)23/h4-10H,3H2,1-2H3,(H,25,26)