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

Systemtic Name: N4-tert-butyl-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H15ClFN5O2 MolecularWeight: 339.752603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClFN5O2/c1-14(2,3)20-13-11(21(22)23)12(17-7-18-13)19-8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H2,17,18,19,20)