9-[2-(4-chloranyl-2-fluoranyl-phenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(4-chloranyl-2-fluoranyl-phenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(4-chloro-2-fluoro-phenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(4-chloro-2-fluorophenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(4-chloro-2-fluorophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-[2-(4-chloro-2-fluoro-phenyl)ethyl]-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C21H19ClFN5O2S MolecularWeight: 459.924263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=C(C=C(C=C4)Cl)F)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=C(C=C(C=C4)Cl)F)N=CN=C3N

InChI

InChI=1S/C21H19ClFN5O2S/c1-29-14-5-6-16(30-2)17(10-14)31-21-27-18-19(24)25-11-26-20(18)28(21)8-7-12-3-4-13(22)9-15(12)23/h3-6,9-11H,7-8H2,1-2H3,(H2,24,25,26)