N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H16ClF3N6O2 MolecularWeight: 404.77475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C15H16ClF3N6O2/c1-8(2)3-4-20-13-11(25(26)27)14(23-7-22-13)24-12-10(16)5-9(6-21-12)15(17,18)19/h5-8H,3-4H2,1-2H3,(H2,20,21,22,23,24)