[1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-azido-butan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-azido-butan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-3-azido-propoxy]methylphosphonic acid CAS Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-4-azidobutan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-4-azidobutan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-3-azido-propoxy]methylphosphonic acid Formula: C10H15N8O5P MolecularWeight: 358.250461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CCN=[N+]=[N-])OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CCN=[N+]=[N-])OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H15N8O5P/c11-10-15-8-7(9(19)16-10)13-4-18(8)3-6(1-2-14-17-12)23-5-24(20,21)22/h4,6H,1-3,5H2,(H2,20,21,22)(H3,11,15,16,19)