[(2R)-1-[2-azanyl-6-(furan-3-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[2-azanyl-6-(furan-3-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(3-furylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(3-furanylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(furan-3-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(3-furylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H18N6O5P+ MolecularWeight: 369.292981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2NC3=COC=C3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2NC3=COC=C3)N)OCP(=O)(O)O

InChI

InChI=1S/C13H17N6O5P/c1-8(24-7-25(20,21)22)4-19-6-15-10-11(16-9-2-3-23-5-9)17-13(14)18-12(10)19/h2-3,5-6,8H,4,7H2,1H3,(H5,14,16,17,18,20,21,22)/p+1/t8-/m1/s1