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

Systemtic Name: 2-[8-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[8-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[8-[2-(diethoxyphosphorylmethylthio)ethoxy]-7H-purin-6-yl]isoindole-1,3-dione IUPAC Name: 2-[8-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[8-[2-(diethoxyphosphorylmethylthio)ethoxy]-7H-purin-6-yl]isoindoline-1,3-quinone Formula: C20H22N5O6PS MolecularWeight: 491.457341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCOC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOP(=O)(CSCCOC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

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