ethyl 2-[6-aminocarbonyl-2-(3-fluorophenyl)-9-(2-methoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(3-fluorophenyl)-9-(2-methoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(3-fluorophenyl)-9-(2-methoxyphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(3-fluorophenyl)-9-(2-methoxyphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(3-fluorophenyl)-9-(2-methoxyphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(3-fluorophenyl)-8-keto-9-(2-methoxyphenyl)purin-7-yl]acetic acid ethyl ester Formula: C23H20FN5O5 MolecularWeight: 465.433803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)F)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)F)C(=O)N

InChI

InChI=1S/C23H20FN5O5/c1-3-34-17(30)12-28-19-18(20(25)31)26-21(13-7-6-8-14(24)11-13)27-22(19)29(23(28)32)15-9-4-5-10-16(15)33-2/h4-11H,3,12H2,1-2H3,(H2,25,31)