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

Systemtic Name: [2-methyl-3-(6-oxidanylidene-8-propyl-3H-purin-9-yl)-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-methyl-3-(6-oxo-8-propyl-3H-purin-9-yl)-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-methyl-3-(6-oxo-8-propyl-3H-purin-9-yl)-6-phenylphenyl] ester IUPAC Name: [2-methyl-3-(6-oxo-8-propyl-3H-purin-9-yl)-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(6-keto-8-propyl-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)NC=NC2=O

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)NC=NC2=O

InChI

InChI=1S/C22H20N4O4/c1-3-7-17-25-18-20(23-12-24-21(18)27)26(17)16-11-10-15(14-8-5-4-6-9-14)19(13(16)2)30-22(28)29/h4-6,8-12H,3,7H2,1-2H3,(H,28,29)(H,23,24,27)