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

Systemtic Name: 4-[6-aminocarbonyl-9-(2-fluorophenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate Openeye Name: 4-[6-carbamoyl-9-(2-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoate CAS Name: 4-[6-carbamoyl-9-(2-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoate IUPAC Name: 4-[6-carbamoyl-9-(2-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoate Traditional Name: 4-[6-carbamoyl-9-(2-fluorophenyl)-8-keto-7H-purin-2-yl]benzoate Formula: C19H11FN5O4- MolecularWeight: 392.320143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(=O)[O-])F

InChI

InChI=1S/C19H12FN5O4/c20-11-3-1-2-4-12(11)25-17-14(23-19(25)29)13(15(21)26)22-16(24-17)9-5-7-10(8-6-9)18(27)28/h1-8H,(H2,21,26)(H,23,29)(H,27,28)/p-1