ethyl 4-[4-methyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzoate

Systemtic Name: ethyl 4-[4-methyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzoate Openeye Name: ethyl 4-(4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-6-yl)benzoate CAS Name: 4-(4-methyl-1,3-dioxo-7-phenyl-6-purino[7,8-a]imidazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)benzoate Traditional Name: 4-(1,3-diketo-4-methyl-7-phenyl-purin[7,8-a]imidazol-6-yl)benzoic acid ethyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=CC=C5

InChI

InChI=1S/C23H19N5O4/c1-3-32-21(30)15-9-11-16(12-10-15)28-17(14-7-5-4-6-8-14)13-27-18-19(24-22(27)28)26(2)23(31)25-20(18)29/h4-13H,3H2,1-2H3,(H,25,29,31)