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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C19H17BrFN5O2 MolecularWeight: 446.272983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrFN5O2/c1-11(2)12-3-6-14(7-4-12)24-18-17(26(27)28)19(23-10-22-18)25-16-8-5-13(20)9-15(16)21/h3-11H,1-2H3,(H2,22,23,24,25)