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

Systemtic Name: 2-fluoranyl-9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-fluoro-9-(tetrahydrofuran-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-fluoro-9-(2-oxolanylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-fluoro-9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [2-fluoro-9-(tetrahydrofurfuryl)-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H24FN5O4 MolecularWeight: 417.434063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CC4CCCO4)N=C(N=C3N)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CC4CCCO4)N=C(N=C3N)F

InChI

InChI=1S/C20H24FN5O4/c1-27-13-7-11(8-14(28-2)17(13)29-3)9-15-23-16-18(22)24-20(21)25-19(16)26(15)10-12-5-4-6-30-12/h7-8,12H,4-6,9-10H2,1-3H3,(H2,22,24,25)