2-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxy]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-[3-benzoxy-2-(diethoxyphosphorylmethoxy)propoxy]purin-6-yl]isoindoline-1,3-quinone Formula: C28H30N5O8P MolecularWeight: 595.540261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)OCC

Isomeric SMILES

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)OCC

InChI

InChI=1S/C28H30N5O8P/c1-3-40-42(36,41-4-2)19-38-21(15-37-14-20-10-6-5-7-11-20)16-39-32-18-31-24-25(32)29-17-30-26(24)33-27(34)22-12-8-9-13-23(22)28(33)35/h5-13,17-18,21H,3-4,14-16,19H2,1-2H3