2-[2-azanyl-6-(1,4-diazepan-1-yl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(1,4-diazepan-1-yl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(1,4-diazepan-1-yl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1,4-diazepan-1-yl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(1,4-diazepan-1-yl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(1,4-diazepan-1-yl)purin-9-yl]ethoxymethylphosphonic acid Formula: C13H22N7O4P MolecularWeight: 371.332041

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CNCCN(C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C13H22N7O4P/c14-13-17-11(19-4-1-2-15-3-5-19)10-12(18-13)20(8-16-10)6-7-24-9-25(21,22)23/h8,15H,1-7,9H2,(H2,14,17,18)(H2,21,22,23)