[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 3-(imidazol-1-ylmethyl)benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 3-(imidazol-1-ylmethyl)benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl 3-(imidazol-1-ylmethyl)benzoate CAS Name: 3-(1-imidazolylmethyl)benzoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl 3-(imidazol-1-ylmethyl)benzoate Traditional Name: 3-(imidazol-1-ylmethyl)benzoic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C3=CC(=CC=C3)CN4C=CN=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)C3=CC(=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C19H18N6O4/c1-22-16-15(17(26)23(2)19(22)28)25(11-21-16)12-29-18(27)14-5-3-4-13(8-14)9-24-7-6-20-10-24/h3-8,10-11H,9,12H2,1-2H3