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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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