ethyl 2-[6-aminocarbonyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-8-keto-9-(3-methoxyphenyl)purin-7-yl]acetic acid ethyl ester Formula: C25H25N5O7 MolecularWeight: 507.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O7/c1-5-37-19(31)13-29-21-20(22(26)32)27-23(14-9-17(35-3)12-18(10-14)36-4)28-24(21)30(25(29)33)15-7-6-8-16(11-15)34-2/h6-12H,5,13H2,1-4H3,(H2,26,32)