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

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(3-methoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(3-methoxyphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-cyclohexyl-2-(3-methoxyphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(3-methoxyphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-9-cyclohexyl-8-keto-2-(3-methoxyphenyl)purin-7-yl]acetic acid ethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5/c1-3-33-17(29)13-27-19-18(20(24)30)25-21(14-8-7-11-16(12-14)32-2)26-22(19)28(23(27)31)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3,(H2,24,30)