[2-[bis(phenylmethoxy)phosphoryloxymethyl]-3-[6-(methylamino)purin-9-yl]propyl] bis(phenylmethyl) phosphate

Systemtic Name: [2-[bis(phenylmethoxy)phosphoryloxymethyl]-3-[6-(methylamino)purin-9-yl]propyl] bis(phenylmethyl) phosphate Openeye Name: dibenzyl [2-(dibenzyloxyphosphoryloxymethyl)-3-[6-(methylamino)purin-9-yl]propyl] phosphate CAS Name: phosphoric acid [2-[bis(phenylmethoxy)phosphoryloxymethyl]-3-[6-(methylamino)-9-purinyl]propyl] bis(phenylmethyl) ester IUPAC Name: dibenzyl [2-[bis(phenylmethoxy)phosphoryloxymethyl]-3-[6-(methylamino)purin-9-yl]propyl] phosphate Traditional Name: phosphoric acid dibenzyl [2-(dibenzoxyphosphoryloxymethyl)-3-[6-(methylamino)purin-9-yl]propyl] ester Formula: C38H41N5O8P2 MolecularWeight: 757.708362

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC(COP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)COP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC(COP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)COP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C38H41N5O8P2/c1-39-37-36-38(41-29-40-37)43(30-42-36)22-35(27-50-52(44,46-23-31-14-6-2-7-15-31)47-24-32-16-8-3-9-17-32)28-51-53(45,48-25-33-18-10-4-11-19-33)49-26-34-20-12-5-13-21-34/h2-21,29-30,35H,22-28H2,1H3,(H,39,40,41)