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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-pyridin-3-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(3-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(3-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H12ClF3N6 MolecularWeight: 380.75489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)N

Isomeric SMILES

C1=CC(=CN=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)N

InChI

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