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

Systemtic Name: methyl 2-[4,7,8-trimethyl-1,3-bis(oxidanylidene)-6-(4-phenoxyphenyl)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-(4-phenoxyphenyl)purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[4,7,8-trimethyl-1,3-dioxo-6-(4-phenoxyphenyl)-2-purino[7,8-a]imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-(4-phenoxyphenyl)purino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[1,3-diketo-4,7,8-trimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazol-2-yl]acetic acid methyl ester Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CC(=O)OC)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CC(=O)OC)C)C

InChI

InChI=1S/C25H23N5O5/c1-15-16(2)30-21-22(27(3)25(33)28(23(21)32)14-20(31)34-4)26-24(30)29(15)17-10-12-19(13-11-17)35-18-8-6-5-7-9-18/h5-13H,14H2,1-4H3