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

Systemtic Name: [(2R)-1-[2-azanyl-6-(butan-2-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(sec-butylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(butan-2-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(butan-2-ylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(sec-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:

CCC(C)NC1=NC(=NC2=C1NC=[N+]2CC(C)OCP(=O)(O)O)N

Isomeric SMILES

CCC(C)NC1=NC(=NC2=C1NC=[N+]2C[C@@H](C)OCP(=O)(O)O)N

InChI

InChI=1S/C13H23N6O4P/c1-4-8(2)16-11-10-12(18-13(14)17-11)19(6-15-10)5-9(3)23-7-24(20,21)22/h6,8-9H,4-5,7H2,1-3H3,(H5,14,16,17,18,20,21,22)/p+1/t8?,9-/m1/s1