9-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[2-(4-fluorophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[2-(4-fluorophenyl)-2-keto-ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C15H12FN5O5 MolecularWeight: 361.284683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12FN5O5/c1-18-12-11(13(23)19(2)15(18)24)17-14(21(25)26)20(12)7-10(22)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3