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

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-cyclohexyl-8-oxidanylidene-2-(4-propan-2-ylphenyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(4-isopropylphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-cyclohexyl-8-oxo-2-(4-propan-2-ylphenyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-8-oxo-2-(4-propan-2-ylphenyl)purin-7-yl]acetate Traditional Name: 2-(6-carbamoyl-9-cyclohexyl-8-keto-2-p-cumenyl-purin-7-yl)acetic acid ethyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-4-34-19(31)14-29-21-20(22(26)32)27-23(17-12-10-16(11-13-17)15(2)3)28-24(21)30(25(29)33)18-8-6-5-7-9-18/h10-13,15,18H,4-9,14H2,1-3H3,(H2,26,32)