[3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-5-phosphonooxy-pentyl] dihydrogen phosphate

Systemtic Name: [3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-5-phosphonooxy-pentyl] dihydrogen phosphate Openeye Name: [3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-5-phosphonooxy-pentyl] dihydrogen phosphate CAS Name: [3-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-5-phosphonooxypentyl] dihydrogen phosphate IUPAC Name: [3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-5-phosphonooxypentyl] dihydrogen phosphate Traditional Name: [3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-5-phosphonooxy-pentyl] dihydrogen phosphate Formula: C12H20ClN5O8P2 MolecularWeight: 459.716422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(CCOP(=O)(O)O)CCOP(=O)(O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(CCOP(=O)(O)O)CCOP(=O)(O)O)Cl

InChI

InChI=1S/C12H20ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)6-8(2-4-25-27(19,20)21)3-5-26-28(22,23)24/h7-8H,2-6H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)