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

Systemtic Name: 2-[9-[2-(dibutoxyphosphorylmethoxy)ethoxy]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[2-(dibutoxyphosphorylmethoxy)ethoxy]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[2-(dibutoxyphosphorylmethoxy)ethoxy]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[2-(dibutoxyphosphorylmethoxy)ethoxy]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-[2-(dibutoxyphosphorylmethoxy)ethoxy]purin-6-yl]isoindoline-1,3-quinone Formula: C24H30N5O7P MolecularWeight: 531.498061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OCCCC

Isomeric SMILES

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OCCCC

InChI

InChI=1S/C24H30N5O7P/c1-3-5-11-35-37(32,36-12-6-4-2)17-33-13-14-34-28-16-27-20-21(28)25-15-26-22(20)29-23(30)18-9-7-8-10-19(18)24(29)31/h7-10,15-16H,3-6,11-14,17H2,1-2H3