8-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-2-fluoranyl-7H-purin-6-amine

Systemtic Name: 8-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-2-fluoranyl-7H-purin-6-amine Openeye Name: 8-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-2-fluoro-7H-purin-6-amine CAS Name: 8-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluoro-7H-purin-6-amine IUPAC Name: 8-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluoro-7H-purin-6-amine Traditional Name: [8-(2-chloro-4,5-dimethoxy-benzyl)-2-fluoro-7H-purin-6-yl]amine Formula: C14H13ClFN5O2 MolecularWeight: 337.736723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NC3=C(N2)C(=NC(=N3)F)N)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NC3=C(N2)C(=NC(=N3)F)N)Cl)OC

InChI

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