8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]purin-6-amine

Systemtic Name: 8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]purin-6-amine Openeye Name: 8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]purin-6-amine CAS Name: 8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]-6-purinamine IUPAC Name: 8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]purin-6-amine Traditional Name: [8-(3-fluorophenyl)-9-methyl-2-[4-(trioxidanyl)but-1-ynyl]purin-6-yl]amine Formula: C16H14FN5O3 MolecularWeight: 343.312463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CCCOOO)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CCCOOO)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C16H14FN5O3/c1-22-15(10-5-4-6-11(17)9-10)21-13-14(18)19-12(20-16(13)22)7-2-3-8-24-25-23/h4-6,9,23H,3,8H2,1H3,(H2,18,19,20)