[2-[(8-butyl-2-ethoxy-purin-9-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(8-butyl-2-ethoxy-purin-9-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(8-butyl-2-ethoxy-purin-9-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(8-butyl-2-ethoxy-9-purinyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(8-butyl-2-ethoxypurin-9-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(8-butyl-2-ethoxy-purin-9-yl)methyl]-6-phenyl-phenyl] ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OCC

Isomeric SMILES

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H26N4O4/c1-3-5-14-21-27-20-15-26-24(32-4-2)28-23(20)29(21)16-18-12-9-13-19(22(18)33-25(30)31)17-10-7-6-8-11-17/h6-13,15H,3-5,14,16H2,1-2H3,(H,30,31)