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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C16H17BrFN5O2 MolecularWeight: 410.240883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H17BrFN5O2/c17-10-6-7-13(12(18)8-10)22-16-14(23(24)25)15(19-9-20-16)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22)