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

Systemtic Name: N4-tert-butyl-N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H14ClF3N6O2 MolecularWeight: 390.74817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClF3N6O2/c1-13(2,3)23-12-9(24(25)26)11(20-6-21-12)22-10-8(15)4-7(5-19-10)14(16,17)18/h4-6H,1-3H3,(H2,19,20,21,22,23)