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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl benzoate CAS Name: benzoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl benzoate Traditional Name: benzoic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C15H14N4O4 MolecularWeight: 314.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4/c1-17-12-11(13(20)18(2)15(17)22)19(8-16-12)9-23-14(21)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3