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

Systemtic Name: ethyl 2-[6-aminocarbonyl-9-(2-methoxyphenyl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(4-isopropylphenyl)-9-(2-methoxyphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-2-(4-propan-2-ylphenyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-8-keto-9-(2-methoxyphenyl)-2-p-cumenyl-purin-7-yl]acetic acid ethyl ester Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)C(C)C)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)C(C)C)C(=O)N

InChI

InChI=1S/C26H27N5O5/c1-5-36-20(32)14-30-22-21(23(27)33)28-24(17-12-10-16(11-13-17)15(2)3)29-25(22)31(26(30)34)18-8-6-7-9-19(18)35-4/h6-13,15H,5,14H2,1-4H3,(H2,27,33)