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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H12ClFN6O2 MolecularWeight: 374.756883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClFN6O2/c17-12-6-11(3-4-13(12)18)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)