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

Systemtic Name: 2-fluoranyl-9-(2-propan-2-yloxyethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-fluoro-9-(2-isopropoxyethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-fluoro-9-(2-propan-2-yloxyethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-fluoro-9-(2-propan-2-yloxyethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [2-fluoro-9-(2-isopropoxyethyl)-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H26FN5O4 MolecularWeight: 419.449943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)OCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H26FN5O4/c1-11(2)30-7-6-26-15(23-16-18(22)24-20(21)25-19(16)26)10-12-8-13(27-3)17(29-5)14(9-12)28-4/h8-9,11H,6-7,10H2,1-5H3,(H2,22,24,25)