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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N=C(N)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N=C(N)N

InChI

InChI=1S/C9H15N8O4P/c10-6-5-7(15-9(14-6)16-8(11)12)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)