[2-[(8-butyl-2-ethoxy-purin-7-yl)methyl]-6-phenyl-phenyl] methyl carbonate

Systemtic Name: [2-[(8-butyl-2-ethoxy-purin-7-yl)methyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[(8-butyl-2-ethoxy-purin-7-yl)methyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[(8-butyl-2-ethoxy-7-purinyl)methyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[(8-butyl-2-ethoxypurin-7-yl)methyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[(8-butyl-2-ethoxy-purin-7-yl)methyl]-6-phenyl-phenyl] methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NC(=NC=C2N1CC3=CC=CC(=C3OC(=O)OC)C4=CC=CC=C4)OCC

Isomeric SMILES

CCCCC1=NC2=NC(=NC=C2N1CC3=CC=CC(=C3OC(=O)OC)C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H28N4O4/c1-4-6-15-22-28-24-21(16-27-25(29-24)33-5-2)30(22)17-19-13-10-14-20(18-11-8-7-9-12-18)23(19)34-26(31)32-3/h7-14,16H,4-6,15,17H2,1-3H3