2-[9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enoxy]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enoxy]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[(E)-4-diisopropoxyphosphorylbut-3-enoxy]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enoxy]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enoxy]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-[(E)-4-diisopropoxyphosphorylbut-3-enoxy]purin-6-yl]isoindoline-1,3-quinone Formula: C23H26N5O6P MolecularWeight: 499.456201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C=CCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(/C=C/CCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OC(C)C

InChI

InChI=1S/C23H26N5O6P/c1-15(2)33-35(31,34-16(3)4)12-8-7-11-32-27-14-26-19-20(27)24-13-25-21(19)28-22(29)17-9-5-6-10-18(17)23(28)30/h5-6,8-10,12-16H,7,11H2,1-4H3/b12-8+