ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(4-ethoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(4-ethoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethoxyphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethoxyphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethoxyphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-(6-carbamoyl-9-cyclohexyl-8-keto-2-p-phenetyl-purin-7-yl)acetic acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)C4CCCCC4)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)C4CCCCC4)C(=O)N

InChI

InChI=1S/C24H29N5O5/c1-3-33-17-12-10-15(11-13-17)22-26-19(21(25)31)20-23(27-22)29(16-8-6-5-7-9-16)24(32)28(20)14-18(30)34-4-2/h10-13,16H,3-9,14H2,1-2H3,(H2,25,31)