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

Systemtic Name: [(2R)-1-[2-azanyl-6-(butylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(butylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(butylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(butylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(butylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H24N6O4P+ MolecularWeight: 359.341221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1NC=[N+]2CC(C)OCP(=O)(O)O)N

Isomeric SMILES

CCCCNC1=NC(=NC2=C1NC=[N+]2C[C@@H](C)OCP(=O)(O)O)N

InChI

InChI=1S/C13H23N6O4P/c1-3-4-5-15-11-10-12(18-13(14)17-11)19(7-16-10)6-9(2)23-8-24(20,21)22/h7,9H,3-6,8H2,1-2H3,(H5,14,15,17,18,20,21,22)/p+1/t9-/m1/s1