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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C13H13BrFN5O2 MolecularWeight: 370.177023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H13BrFN5O2/c1-7(2)18-12-11(20(21)22)13(17-6-16-12)19-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H2,16,17,18,19)