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

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H12ClF3N6O2 MolecularWeight: 376.72159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H12ClF3N6O2/c1-6(2)21-11-9(23(24)25)12(20-5-19-11)22-10-8(14)3-7(4-18-10)13(15,16)17/h3-6H,1-2H3,(H2,18,19,20,21,22)