[3-(8-butyl-6-methoxy-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-(8-butyl-6-methoxy-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-(8-butyl-6-methoxy-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-(8-butyl-6-methoxy-9-purinyl)-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-(8-butyl-6-methoxypurin-9-yl)-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(8-butyl-6-methoxy-purin-9-yl)-2-methyl-6-phenyl-phenyl] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N=CN=C2OC

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N=CN=C2OC

InChI

InChI=1S/C24H24N4O4/c1-4-5-11-19-27-20-22(25-14-26-23(20)31-3)28(19)18-13-12-17(16-9-7-6-8-10-16)21(15(18)2)32-24(29)30/h6-10,12-14H,4-5,11H2,1-3H3,(H,29,30)