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

Systemtic Name: N6-butyl-N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 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:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

InChI

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