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

Systemtic Name: ethyl 3-[6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]propanoate Openeye Name: ethyl 3-[6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]propanoate CAS Name: 3-[6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate Traditional Name: 3-(1,3-diketo-4,7,8-trimethyl-6-p-anisyl-purin[7,8-a]imidazol-2-yl)propionic acid ethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=C(C=C4)OC)C)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=C(C=C4)OC)C)C)N(C1=O)C

InChI

InChI=1S/C23H27N5O5/c1-6-33-18(29)11-12-26-21(30)19-20(25(4)23(26)31)24-22-27(14(2)15(3)28(19)22)13-16-7-9-17(32-5)10-8-16/h7-10H,6,11-13H2,1-5H3