[6-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate

Systemtic Name: [6-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate Openeye Name: [6-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate CAS Name: [6-[6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate IUPAC Name: [6-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate Traditional Name: [6-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)hexyl] dihydrogen phosphate Formula: C13H23N5O8P2 MolecularWeight: 439.297942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCCCC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCCCC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C13H23N5O8P2/c1-14-12-11-13(16-8-15-12)18(9-17-11)5-3-2-4-10(6-25-27(19,20)21)7-26-28(22,23)24/h8-10H,2-7H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)