4-[6-aminocarbonyl-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid

Systemtic Name: 4-[6-aminocarbonyl-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid Openeye Name: 4-[6-carbamoyl-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid CAS Name: 4-[6-carbamoyl-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid IUPAC Name: 4-[6-carbamoyl-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid Traditional Name: 4-[6-carbamoyl-8-keto-9-(3,4,5-trimethoxyphenyl)-7H-purin-2-yl]benzoic acid Formula: C22H19N5O7 MolecularWeight: 465.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H19N5O7/c1-32-13-8-12(9-14(33-2)17(13)34-3)27-20-16(25-22(27)31)15(18(23)28)24-19(26-20)10-4-6-11(7-5-10)21(29)30/h4-9H,1-3H3,(H2,23,28)(H,25,31)(H,29,30)