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

Systemtic Name: [3-(8-butyl-6-oxidanylidene-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-(8-butyl-6-oxo-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-(8-butyl-6-oxo-3H-purin-9-yl)-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-(8-butyl-6-oxo-3H-purin-9-yl)-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(8-butyl-6-keto-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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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)NC=NC2=O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)NC=NC2=O

InChI

InChI=1S/C23H22N4O4/c1-3-4-10-18-26-19-21(24-13-25-22(19)28)27(18)17-12-11-16(15-8-6-5-7-9-15)20(14(17)2)31-23(29)30/h5-9,11-13H,3-4,10H2,1-2H3,(H,29,30)(H,24,25,28)