1-[[2,6-bis(azanyl)-3-oxidanyl-2H-purin-9-yl]oxy]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[[2,6-bis(azanyl)-3-oxidanyl-2H-purin-9-yl]oxy]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[(2,6-diamino-3-hydroxy-2H-purin-9-yl)oxy]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[(2,6-diamino-3-hydroxy-2H-purin-9-yl)oxy]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[(2,6-diamino-3-hydroxy-2H-purin-9-yl)oxy]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[(2,6-diamino-3-hydroxy-2H-purin-9-yl)oxy]-1-methyl-ethoxy]methylphosphonic acid Formula: C9H17N6O6P MolecularWeight: 336.241641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CON1C=NC2=C1N(C(N=C2N)N)O)OCP(=O)(O)O

Isomeric SMILES

CC(CON1C=NC2=C1N(C(N=C2N)N)O)OCP(=O)(O)O

InChI

InChI=1S/C9H17N6O6P/c1-5(20-4-22(17,18)19)2-21-14-3-12-6-7(10)13-9(11)15(16)8(6)14/h3,5,9,16H,2,4,11H2,1H3,(H2,10,13)(H2,17,18,19)