2,6-bis(azanyl)-5-[3-[(5-fluoranyl-2-nitro-phenyl)amino]propyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-[3-[(5-fluoranyl-2-nitro-phenyl)amino]propyl]-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[3-(5-fluoro-2-nitro-anilino)propyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-[3-(5-fluoro-2-nitroanilino)propyl]-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-[3-(5-fluoro-2-nitroanilino)propyl]-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[3-(5-fluoro-2-nitro-anilino)propyl]-1H-pyrimidin-4-one Formula: C13H15FN6O3 MolecularWeight: 322.295003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NCCCC2=C(NC(=NC2=O)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)NCCCC2=C(NC(=NC2=O)N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15FN6O3/c14-7-3-4-10(20(22)23)9(6-7)17-5-1-2-8-11(15)18-13(16)19-12(8)21/h3-4,6,17H,1-2,5H2,(H5,15,16,18,19,21)