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

Systemtic Name: 2-[6-[bis(azanyl)methylideneamino]-2-chloranyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2-chloro-6-guanidino-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-chloro-6-(diaminomethylideneamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-chloro-6-(diaminomethylideneamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-(2-chloro-6-guanidino-purin-9-yl)ethoxymethylphosphonic acid Formula: C9H13ClN7O4P MolecularWeight: 349.670781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClN7O4P/c10-8-14-6(15-9(11)12)5-7(16-8)17(3-13-5)1-2-21-4-22(18,19)20/h3H,1-2,4H2,(H2,18,19,20)(H4,11,12,14,15,16)