[3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrochloride

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrochloride Openeye Name: [3-(2-amino-6-oxo-3H-purin-7-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrochloride CAS Name: carbonic acid [3-(2-amino-6-oxo-3H-purin-7-yl)-2-methyl-6-phenylphenyl] ester hydrochloride IUPAC Name: [3-(2-amino-6-oxo-3H-purin-7-yl)-2-methyl-6-phenylphenyl] hydrogen carbonate hydrochloride Traditional Name: carbonic acid [3-(2-amino-6-keto-3H-purin-7-yl)-2-methyl-6-phenyl-phenyl] ester hydrochloride Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC(=O)O)C2=CC=CC=C2)N3C=NC4=C3C(=O)N=C(N4)N.Cl

Isomeric SMILES

CC1=C(C=CC(=C1OC(=O)O)C2=CC=CC=C2)N3C=NC4=C3C(=O)N=C(N4)N.Cl

InChI

InChI=1S/C19H15N5O4.ClH/c1-10-13(24-9-21-16-14(24)17(25)23-18(20)22-16)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);1H