2-fluoranyl-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 2-fluoranyl-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-fluoro-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-fluoro-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-fluoro-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [2-fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H22FN5O3 MolecularWeight: 399.418783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

InChI

InChI=1S/C20H22FN5O3/c1-5-6-7-8-26-15(23-16-18(22)24-20(21)25-19(16)26)11-12-9-13(27-2)17(29-4)14(10-12)28-3/h1,9-10H,6-8,11H2,2-4H3,(H2,22,24,25)