N4-butyl-N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-[2-chloro-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-[2-chloro-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H17ClF3N5O2 MolecularWeight: 403.78669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClF3N5O2/c1-3-4-7-24(2)15-13(25(26)27)14(21-9-22-15)23-12-8-10(16(18,19)20)5-6-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,22,23)