ethyl 2-[6-aminocarbonyl-2,9-bis(4-chlorophenyl)-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2,9-bis(4-chlorophenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2,9-bis(4-chlorophenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2,9-bis(4-chlorophenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2,9-bis(4-chlorophenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2,9-bis(4-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=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

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

InChI

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