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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H11BrFN5O3 MolecularWeight: 408.181943

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C15H11BrFN5O3/c16-9-3-4-12(11(17)6-9)21-15-13(22(23)24)14(19-8-20-15)18-7-10-2-1-5-25-10/h1-6,8H,7H2,(H2,18,19,20,21)