methyl 2-[6-(3,5-dimethylphenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: methyl 2-[6-(3,5-dimethylphenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: methyl 2-[6-(3,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(3,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(3,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[6-(3,5-dimethylphenyl)-1,3-diketo-4,7,8-trimethyl-purin[7,8-a]imidazol-2-yl]acetic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C)C)C

InChI

InChI=1S/C21H23N5O4/c1-11-7-12(2)9-15(8-11)25-13(3)14(4)26-17-18(22-20(25)26)23(5)21(29)24(19(17)28)10-16(27)30-6/h7-9H,10H2,1-6H3