N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C18H15BrFN5O2 MolecularWeight: 432.246403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-])C

InChI

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