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

Systemtic Name: 2-fluoranyl-9-[(2S)-2-methylbutyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-fluoro-9-[(2S)-2-methylbutyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-fluoro-9-[(2S)-2-methylbutyl]-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-fluoro-9-[(2S)-2-methylbutyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [2-fluoro-9-[(2S)-2-methylbutyl]-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H26FN5O3 MolecularWeight: 403.450543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC[C@H](C)CN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H26FN5O3/c1-6-11(2)10-26-15(23-16-18(22)24-20(21)25-19(16)26)9-12-7-13(27-3)17(29-5)14(8-12)28-4/h7-8,11H,6,9-10H2,1-5H3,(H2,22,24,25)/t11-/m0/s1