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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-pyridin-4-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(4-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-pyridin-4-ylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H12ClF3N6 MolecularWeight: 380.75489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)N)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)N)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3N6/c17-12-2-1-10(7-11(12)16(18,19)20)26-15-13(21)14(23-8-24-15)25-9-3-5-22-6-4-9/h1-8H,21H2,(H2,22,23,24,25,26)