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

Systemtic Name: 4-[6-aminocarbonyl-9-(3-methoxyphenyl)-8-oxidanylidene-7H-purin-2-yl]benzoic acid Openeye Name: 4-[6-carbamoyl-9-(3-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoic acid CAS Name: 4-[6-carbamoyl-9-(3-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoic acid IUPAC Name: 4-[6-carbamoyl-9-(3-methoxyphenyl)-8-oxo-7H-purin-2-yl]benzoic acid Traditional Name: 4-[6-carbamoyl-8-keto-9-(3-methoxyphenyl)-7H-purin-2-yl]benzoic acid Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N5O5/c1-30-13-4-2-3-12(9-13)25-18-15(23-20(25)29)14(16(21)26)22-17(24-18)10-5-7-11(8-6-10)19(27)28/h2-9H,1H3,(H2,21,26)(H,23,29)(H,27,28)