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

Systemtic Name: [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(8-butyl-2-methoxy-9-purinyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(8-butyl-2-methoxypurin-9-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-3-4-13-20-26-19-14-25-23(31-2)27-22(19)28(20)15-17-11-8-12-18(21(17)32-24(29)30)16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,29,30)