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

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(4-ethylphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethylphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethylphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethylphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-9-cyclohexyl-2-(4-ethylphenyl)-8-keto-purin-7-yl]acetic acid ethyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)C4CCCCC4)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)C4CCCCC4)C(=O)N

InChI

InChI=1S/C24H29N5O4/c1-3-15-10-12-16(13-11-15)22-26-19(21(25)31)20-23(27-22)29(17-8-6-5-7-9-17)24(32)28(20)14-18(30)33-4-2/h10-13,17H,3-9,14H2,1-2H3,(H2,25,31)