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9-but-3-ynyl-2-fluoranyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine
9-but-3-ynyl-2-fluoranyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCC#C)N=C(N=C3N)F
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCC#C)N=C(N=C3N)F
InChI
InChI=1S/C19H20FN5O3/c1-5-6-7-25-14(22-15-17(21)23-19(20)24-18(15)25)10-11-8-12(26-2)16(28-4)13(9-11)27-3/h1,8-9H,6-7,10H2,2-4H3,(H2,21,23,24)
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