3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl bis(phenylmethyl) phosphate

Systemtic Name: 3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl bis(phenylmethyl) phosphate Openeye Name: dibenzyl 3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl phosphate CAS Name: phosphoric acid 3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl bis(phenylmethyl) ester IUPAC Name: dibenzyl 3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl phosphate Traditional Name: phosphoric acid dibenzyl 3-(4,6-dimethoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)propyl ester Formula: C24H27N4O6P MolecularWeight: 498.468141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=NNC(=C21)CCCOP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=NC(=NC2=NNC(=C21)CCCOP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H27N4O6P/c1-30-23-21-20(27-28-22(21)25-24(26-23)31-2)14-9-15-32-35(29,33-16-18-10-5-3-6-11-18)34-17-19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3,(H,25,26,27,28)