2-(2-azanyl-6-carbamimidoyl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-carbamimidoyl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-carbamimidoyl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-6-carbamimidoyl-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-carbamimidoylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-amidino-2-amino-purin-9-yl)ethoxymethylphosphonic acid Formula: C9H14N7O4P MolecularWeight: 315.225721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N7O4P/c10-7(11)5-6-8(15-9(12)14-5)16(3-13-6)1-2-20-4-21(17,18)19/h3H,1-2,4H2,(H3,10,11)(H2,12,14,15)(H2,17,18,19)