[7-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate

Systemtic Name: [7-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate Openeye Name: [7-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate CAS Name: [7-[6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate IUPAC Name: [7-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate Traditional Name: [7-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)heptyl] dihydrogen phosphate Formula: C14H25N5O8P2 MolecularWeight: 453.324522

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCCCCC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCCCCC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C14H25N5O8P2/c1-15-13-12-14(17-9-16-13)19(10-18-12)6-4-2-3-5-11(7-26-28(20,21)22)8-27-29(23,24)25/h9-11H,2-8H2,1H3,(H,15,16,17)(H2,20,21,22)(H2,23,24,25)