2-[9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enoxy]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enoxy]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enoxy]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[(E)-4-diethoxyphosphoryl-1-(2-oxanyloxy)but-3-enoxy]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enoxy]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enoxy]purin-6-yl]isoindoline-1,3-quinone Formula: C26H30N5O8P MolecularWeight: 571.518861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCC(OC1CCCCO1)ON2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CC(OC1CCCCO1)ON2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)OCC

InChI

InChI=1S/C26H30N5O8P/c1-3-36-40(34,37-4-2)15-9-13-21(38-20-12-7-8-14-35-20)39-30-17-29-22-23(30)27-16-28-24(22)31-25(32)18-10-5-6-11-19(18)26(31)33/h5-6,9-11,15-17,20-21H,3-4,7-8,12-14H2,1-2H3/b15-9+