N4-butan-2-yl-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C14H15ClFN5O2 MolecularWeight: 339.752603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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