[5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate

Systemtic Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate Openeye Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate CAS Name: [5-[6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate IUPAC Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate Traditional Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)pentyl] dihydrogen phosphate Formula: C12H21N5O8P2 MolecularWeight: 425.271362

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCCC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCCC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C12H21N5O8P2/c1-13-11-10-12(15-7-14-11)17(8-16-10)4-2-3-9(5-24-26(18,19)20)6-25-27(21,22)23/h7-9H,2-6H2,1H3,(H,13,14,15)(H2,18,19,20)(H2,21,22,23)