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

Systemtic Name: methyl 4-[6-aminocarbonyl-9-(4-fluorophenyl)-8-oxidanylidene-7H-purin-2-yl]benzoate Openeye Name: methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoate CAS Name: 4-[6-carbamoyl-9-(4-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-8-oxo-7H-purin-2-yl]benzoate Traditional Name: 4-[6-carbamoyl-9-(4-fluorophenyl)-8-keto-7H-purin-2-yl]benzoic acid methyl ester Formula: C20H14FN5O4 MolecularWeight: 407.354663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C20H14FN5O4/c1-30-19(28)11-4-2-10(3-5-11)17-23-14(16(22)27)15-18(25-17)26(20(29)24-15)13-8-6-12(21)7-9-13/h2-9H,1H3,(H2,22,27)(H,24,29)