8-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-fluoranyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-fluoranyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine Traditional Name: [8-(2-bromo-4,5-dimethoxy-benzyl)-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine Formula: C19H19BrFN5O2 MolecularWeight: 448.288863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F)Br)OC

InChI

InChI=1S/C19H19BrFN5O2/c1-4-5-6-7-26-15(23-16-17(22)24-19(21)25-18(16)26)9-11-8-13(27-2)14(28-3)10-12(11)20/h1,8,10H,5-7,9H2,2-3H3,(H2,22,24,25)