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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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