2-[2-azanyl-6-[2,2,2-tris(fluoranyl)ethylamino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[2,2,2-tris(fluoranyl)ethylamino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(2,2,2-trifluoroethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(2,2,2-trifluoroethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(2,2,2-trifluoroethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(2,2,2-trifluoroethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C10H14F3N6O4P MolecularWeight: 370.224931

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCC(F)(F)F)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCC(F)(F)F)N

InChI

InChI=1S/C10H14F3N6O4P/c11-10(12,13)3-15-7-6-8(18-9(14)17-7)19(4-16-6)1-2-23-5-24(20,21)22/h4H,1-3,5H2,(H2,20,21,22)(H3,14,15,17,18)