N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-N4-butyl-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-4-N-butyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C15H17BrFN5O2 MolecularWeight: 398.230183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H17BrFN5O2/c1-3-4-7-21(2)15-13(22(23)24)14(18-9-19-15)20-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)