2-[2-azanyl-6-[bis(azanyl)methylideneamino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[bis(azanyl)methylideneamino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-guanidino-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(diaminomethylideneamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(diaminomethylideneamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-guanidino-purin-9-yl)ethoxymethylphosphonic acid Formula: C9H15N8O4P MolecularWeight: 330.240361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)N)N=C(N)N

Isomeric SMILES

C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)N)N=C(N)N

InChI

InChI=1S/C9H15N8O4P/c10-8(11)14-6-5-7(16-9(12)15-6)17(3-13-5)1-2-21-4-22(18,19)20/h3H,1-2,4H2,(H2,18,19,20)(H6,10,11,12,14,15,16)