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

Systemtic Name: 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoranyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine Traditional Name: [8-(2,5-dimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine Formula: C19H20FN5O2 MolecularWeight: 369.392803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h1,7-8,10H,5-6,9,11H2,2-3H3,(H2,21,23,24)