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

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-(2-amino-6-oxo-3H-purin-9-yl)-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(2-amino-6-keto-3H-purin-9-yl)-2-methyl-6-phenyl-phenyl] ester Formula: C19H15N5O4 MolecularWeight: 377.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC(=O)O)C2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CC1=C(C=CC(=C1OC(=O)O)C2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C19H15N5O4/c1-10-13(24-9-21-14-16(24)22-18(20)23-17(14)25)8-7-12(15(10)28-19(26)27)11-5-3-2-4-6-11/h2-9H,1H3,(H,26,27)(H3,20,22,23,25)