2-[2-azanyl-6-(pyridin-4-ylmethylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(pyridin-4-ylmethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-pyridylmethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(pyridin-4-ylmethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(pyridin-4-ylmethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(4-pyridylmethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H18N7O4P MolecularWeight: 379.310981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CN=CC=C1CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C14H18N7O4P/c15-14-19-12(17-7-10-1-3-16-4-2-10)11-13(20-14)21(8-18-11)5-6-25-9-26(22,23)24/h1-4,8H,5-7,9H2,(H2,22,23,24)(H3,15,17,19,20)