5-[2,6-bis(azanyl)purin-9-yl]-2-ethynyl-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: 5-[2,6-bis(azanyl)purin-9-yl]-2-ethynyl-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol Openeye Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: 5-(2,6-diamino-9-purinyl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)-3-oxolanol IUPAC Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol Traditional Name: 5-(2,6-diaminopurin-9-yl)-2-ethynyl-4-fluoro-2-methylol-tetrahydrofuran-3-ol Formula: C12H13FN6O3 MolecularWeight: 308.268423

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=C2N=C(N=C3N)N)F)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=C2N=C(N=C3N)N)F)O)CO

InChI

InChI=1S/C12H13FN6O3/c1-2-12(3-20)7(21)5(13)10(22-12)19-4-16-6-8(14)17-11(15)18-9(6)19/h1,4-5,7,10,20-21H,3H2,(H4,14,15,17,18)