2-[9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[2-(diethoxyphosphorylmethylthio)ethoxy]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-[2-(diethoxyphosphorylmethylthio)ethoxy]purin-6-yl]isoindoline-1,3-quinone Formula: C20H22N5O6PS MolecularWeight: 491.457341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOP(=O)(CSCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C20H22N5O6PS/c1-3-30-32(28,31-4-2)13-33-10-9-29-24-12-23-16-17(24)21-11-22-18(16)25-19(26)14-7-5-6-8-15(14)20(25)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3