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

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(m-tolyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-9-cyclohexyl-8-keto-2-(m-tolyl)purin-7-yl]acetic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-3-32-17(29)13-27-19-18(20(24)30)25-21(15-9-7-8-14(2)12-15)26-22(19)28(23(27)31)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13H2,1-2H3,(H2,24,30)