6-ethyl-5-(4-fluoranyl-3-nitro-phenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-(4-fluoranyl-3-nitro-phenyl)pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-(4-fluoro-3-nitro-phenyl)pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(4-fluoro-3-nitro-phenyl)pyrimidin-4-yl]amine Formula: C12H12FN5O2 MolecularWeight: 277.254383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12FN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)