ethyl 4-[2,4-dimethyl-1,3,7-tris(oxidanylidene)-8H-purino[7,8-a]imidazol-6-yl]benzoate

Systemtic Name: ethyl 4-[2,4-dimethyl-1,3,7-tris(oxidanylidene)-8H-purino[7,8-a]imidazol-6-yl]benzoate Openeye Name: ethyl 4-(2,4-dimethyl-1,3,7-trioxo-8H-purino[7,8-a]imidazol-6-yl)benzoate CAS Name: 4-(2,4-dimethyl-1,3,7-trioxo-8H-purino[7,8-a]imidazol-6-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethyl-1,3,7-trioxo-8H-purino[7,8-a]imidazol-6-yl)benzoate Traditional Name: 4-(1,3,7-triketo-2,4-dimethyl-8H-purin[7,8-a]imidazol-6-yl)benzoic acid ethyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5/c1-4-28-16(26)10-5-7-11(8-6-10)23-12(24)9-22-13-14(19-17(22)23)20(2)18(27)21(3)15(13)25/h5-8H,4,9H2,1-3H3