[1-azanyl-3-[2,6-bis(azanyl)purin-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-azanyl-3-[2,6-bis(azanyl)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-(aminomethyl)-2-(2,6-diaminopurin-9-yl)ethoxy]methylphosphonic acid CAS Name: [1-amino-3-(2,6-diamino-9-purinyl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-amino-3-(2,6-diaminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [1-(aminomethyl)-2-(2,6-diaminopurin-9-yl)ethoxy]methylphosphonic acid Formula: C9H16N7O4P MolecularWeight: 317.241601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CN)OCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1CC(CN)OCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C9H16N7O4P/c10-1-5(20-4-21(17,18)19)2-16-3-13-6-7(11)14-9(12)15-8(6)16/h3,5H,1-2,4,10H2,(H2,17,18,19)(H4,11,12,14,15)