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

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18ClF3N6O2 MolecularWeight: 430.81203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H18ClF3N6O2/c18-12-7-10(17(19,20)21)8-22-14(12)26-16-13(27(28)29)15(23-9-24-16)25-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H2,22,23,24,25,26)