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

Systemtic Name: [2-[(8-butyl-2-methoxy-purin-7-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(8-butyl-2-methoxy-purin-7-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(8-butyl-2-methoxy-7-purinyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(8-butyl-2-methoxypurin-7-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(8-butyl-2-methoxy-purin-7-yl)methyl]-6-phenyl-phenyl] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-3-4-13-20-26-22-19(14-25-23(27-22)31-2)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)