6-chloranyl-9-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(2-fluoro-4,5-dimethoxyphenyl)methyl]purin-2-amine Traditional Name: [6-chloro-9-(2-fluoro-4,5-dimethoxy-benzyl)purin-2-yl]amine Formula: C14H13ClFN5O2 MolecularWeight: 337.736723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)F)OC

InChI

InChI=1S/C14H13ClFN5O2/c1-22-9-3-7(8(16)4-10(9)23-2)5-21-6-18-11-12(15)19-14(17)20-13(11)21/h3-4,6H,5H2,1-2H3,(H2,17,19,20)