methyl 4-[6-aminocarbonyl-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate

Systemtic Name: methyl 4-[6-aminocarbonyl-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate Openeye Name: methyl 4-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoate CAS Name: 4-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoate Traditional Name: 4-[6-carbamoyl-8-keto-9-(2-methoxyphenyl)-7H-purin-2-yl]benzoic acid methyl ester Formula: C21H17N5O5 MolecularWeight: 419.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N5O5/c1-30-14-6-4-3-5-13(14)26-19-16(24-21(26)29)15(17(22)27)23-18(25-19)11-7-9-12(10-8-11)20(28)31-2/h3-10H,1-2H3,(H2,22,27)(H,24,29)