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

Systemtic Name: 2-[6-[bis(azanyl)methylideneamino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-(6-guanidinopurin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[6-(diaminomethylideneamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(diaminomethylideneamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-(6-guanidinopurin-9-yl)ethoxymethylphosphonic acid Formula: C9H14N7O4P MolecularWeight: 315.225721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N=C(N)N

Isomeric SMILES

C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N=C(N)N

InChI

InChI=1S/C9H14N7O4P/c10-9(11)15-7-6-8(13-3-12-7)16(4-14-6)1-2-20-5-21(17,18)19/h3-4H,1-2,5H2,(H2,17,18,19)(H4,10,11,12,13,15)