2-(6-azanyl-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-azanyl-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-amino-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-amino-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-amino-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-amino-7H-purin-9-ium-9-yl)ethoxymethylphosphonic acid Formula: C8H13N5O4P+ MolecularWeight: 274.193681

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)C(=NC=N2)N)CCOCP(=O)(O)O

Isomeric SMILES

C1=[N+](C2=C(N1)C(=NC=N2)N)CCOCP(=O)(O)O

InChI

InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H4,9,10,11,14,15,16)/p+1