[6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)hexyl-oxidanyl-phosphoryl]oxymethylphosphonic acid

Systemtic Name: [6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)hexyl-oxidanyl-phosphoryl]oxymethylphosphonic acid Openeye Name: [6-(2-amino-6-oxo-3H-purin-9-yl)hexyl-hydroxy-phosphoryl]oxymethylphosphonic acid CAS Name: [6-(2-amino-6-oxo-3H-purin-9-yl)hexyl-hydroxyphosphoryl]oxymethylphosphonic acid IUPAC Name: [6-(2-amino-6-oxo-3H-purin-9-yl)hexyl-hydroxyphosphoryl]oxymethylphosphonic acid Traditional Name: [6-(2-amino-6-keto-3H-purin-9-yl)hexyl-hydroxy-phosphoryl]oxymethylphosphonic acid Formula: C12H21N5O7P2 MolecularWeight: 409.271962

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCCP(=O)(O)OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCCCP(=O)(O)OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H21N5O7P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-3-1-2-4-6-26(22,23)24-8-25(19,20)21/h7H,1-6,8H2,(H,22,23)(H2,19,20,21)(H3,13,15,16,18)