2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindole-1,3-dione IUPAC Name: 2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[8-[2-(diethoxyphosphorylmethoxy)propoxy]-7H-purin-6-yl]isoindoline-1,3-quinone Formula: C21H24N5O7P MolecularWeight: 489.418321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(C)COC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOP(=O)(COC(C)COC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C21H24N5O7P/c1-4-32-34(29,33-5-2)12-31-13(3)10-30-21-24-16-17(25-21)22-11-23-18(16)26-19(27)14-8-6-7-9-15(14)20(26)28/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,22,23,24,25)