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

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

Systemtic Name:N6-(3-methylbutyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Openeye Name:N6-isopentyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CAS Name:N6-(3-methylbutyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
IUPAC Name:6-N-(3-methylbutyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Traditional Name:isoamyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine
Formula: C16H18F3N5O2
MolecularWeight: 369.34163
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H18F3N5O2/c1-10(2)6-7-20-14-13(24(25)26)15(22-9-21-14)23-12-5-3-4-11(8-12)16(17,18)19/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22,23)


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