ethyl 2-[6-aminocarbonyl-2-(2-chloranyl-6-fluoranyl-phenyl)-9-cyclohexyl-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(2-chloranyl-6-fluoranyl-phenyl)-9-cyclohexyl-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(2-chloro-6-fluoro-phenyl)-9-cyclohexyl-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-chloro-6-fluorophenyl)-9-cyclohexyl-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(2-chloro-6-fluorophenyl)-9-cyclohexyl-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-chloro-6-fluoro-phenyl)-9-cyclohexyl-8-keto-purin-7-yl]acetic acid ethyl ester Formula: C22H23ClFN5O4 MolecularWeight: 475.900523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3CCCCC3)C4=C(C=CC=C4Cl)F)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3CCCCC3)C4=C(C=CC=C4Cl)F)C(=O)N

InChI

InChI=1S/C22H23ClFN5O4/c1-2-33-15(30)11-28-18-17(19(25)31)26-20(16-13(23)9-6-10-14(16)24)27-21(18)29(22(28)32)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H2,25,31)