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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C18H15BrFN5O2 MolecularWeight: 432.246403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrFN5O2/c1-2-11-5-3-4-6-14(11)23-17-16(25(26)27)18(22-10-21-17)24-15-8-7-12(19)9-13(15)20/h3-10H,2H2,1H3,(H2,21,22,23,24)