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

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(2-chlorophenyl)-9-cyclohexyl-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(2-chlorophenyl)-9-cyclohexyl-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-9-cyclohexyl-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(2-chlorophenyl)-9-cyclohexyl-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-9-cyclohexyl-8-keto-purin-7-yl]acetic acid ethyl ester Formula: C22H24ClN5O4 MolecularWeight: 457.91006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O4/c1-2-32-16(29)12-27-18-17(19(24)30)25-20(14-10-6-7-11-15(14)23)26-21(18)28(22(27)31)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,24,30)