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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H12BrFN6O2 MolecularWeight: 419.207883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN6O2/c17-11-3-4-13(12(18)6-11)23-16-14(24(25)26)15(21-9-22-16)20-8-10-2-1-5-19-7-10/h1-7,9H,8H2,(H2,20,21,22,23)