N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C16H17ClF3N5O2 MolecularWeight: 403.78669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H17ClF3N5O2/c1-9(2)5-6-21-14-13(25(26)27)15(23-8-22-14)24-10-3-4-12(17)11(7-10)16(18,19)20/h3-4,7-9H,5-6H2,1-2H3,(H2,21,22,23,24)