ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]ethanoate

Systemtic Name: ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]ethanoate Openeye Name: ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl]acetate CAS Name: 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxo-6-purino[7,8-a]imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate Traditional Name: 2-[1,3-diketo-7-(4-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazol-6-yl]acetic acid ethyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N5O5/c1-5-30-15(26)11-24-14(12-6-8-13(29-4)9-7-12)10-25-16-17(21-19(24)25)22(2)20(28)23(3)18(16)27/h6-10H,5,11H2,1-4H3