6-azanyl-3-ethyl-5-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-5-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-fluoro-3-nitro-anilino)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-(4-fluoro-3-nitroanilino)-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-fluoro-3-nitroanilino)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-fluoro-3-nitro-anilino)acetyl]pyrimidine-2,4-quinone Formula: C21H20FN5O5 MolecularWeight: 441.412403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN5O5/c1-2-25-20(29)18(19(23)26(21(25)30)12-13-6-4-3-5-7-13)17(28)11-24-14-8-9-15(22)16(10-14)27(31)32/h3-10,24H,2,11-12,23H2,1H3