[4-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [4-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Openeye Name: [4-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate CAS Name: [4-[6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate IUPAC Name: [4-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Traditional Name: [4-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Formula: C11H19N5O8P2 MolecularWeight: 411.244782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C11H19N5O8P2/c1-12-10-9-11(14-6-13-10)16(7-15-9)3-2-8(4-23-25(17,18)19)5-24-26(20,21)22/h6-8H,2-5H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)