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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-N4-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C18H15BrFN5O3 MolecularWeight: 448.245803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H15BrFN5O3/c1-10-3-6-15(28-2)14(7-10)24-18-16(25(26)27)17(21-9-22-18)23-13-5-4-11(19)8-12(13)20/h3-9H,1-2H3,(H2,21,22,23,24)