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

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(2-chlorophenyl)-9-(3-chlorophenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(2-chlorophenyl)-9-(3-chlorophenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-9-(3-chlorophenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(2-chlorophenyl)-9-(3-chlorophenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-9-(3-chlorophenyl)-8-keto-purin-7-yl]acetic acid ethyl ester Formula: C22H17Cl2N5O4 MolecularWeight: 486.30748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4Cl)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4Cl)C(=O)N

InChI

InChI=1S/C22H17Cl2N5O4/c1-2-33-16(30)11-28-18-17(19(25)31)26-20(14-8-3-4-9-15(14)24)27-21(18)29(22(28)32)13-7-5-6-12(23)10-13/h3-10H,2,11H2,1H3,(H2,25,31)