[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] bis(phenylmethyl) phosphate

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] bis(phenylmethyl) phosphate Openeye Name: dibenzyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] phosphate CAS Name: phosphoric acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-phosphonooxypropyl] bis(phenylmethyl) ester IUPAC Name: dibenzyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] phosphate Traditional Name: phosphoric acid dibenzyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C24H28ClN5O8P2 MolecularWeight: 611.908342

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H28ClN5O8P2/c1-26-22-21-23(29-24(25)28-22)30(17-27-21)12-20(15-35-39(31,32)33)16-38-40(34,36-13-18-8-4-2-5-9-18)37-14-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,26,28,29)(H2,31,32,33)