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

Systemtic Name: [(2R)-1-[2-azanyl-6-(pentylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(pentylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(pentylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(pentylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(amylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C14H26N6O4P+ MolecularWeight: 373.367801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC2=C1NC=[N+]2CC(C)OCP(=O)(O)O)N

Isomeric SMILES

CCCCCNC1=NC(=NC2=C1NC=[N+]2C[C@@H](C)OCP(=O)(O)O)N

InChI

InChI=1S/C14H25N6O4P/c1-3-4-5-6-16-12-11-13(19-14(15)18-12)20(8-17-11)7-10(2)24-9-25(21,22)23/h8,10H,3-7,9H2,1-2H3,(H5,15,16,18,19,21,22,23)/p+1/t10-/m1/s1