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

Systemtic Name: N4-tert-butyl-N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,5,6-triamine Openeye Name: N4-tert-butyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrimidine-4,5,6-triamine CAS Name: N4-tert-butyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-tert-butyl-6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(tert-butylamino)pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C14H16ClF3N6 MolecularWeight: 360.76525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H16ClF3N6/c1-13(2,3)24-12-9(19)11(21-6-22-12)23-10-8(15)4-7(5-20-10)14(16,17)18/h4-6H,19H2,1-3H3,(H2,20,21,22,23,24)