N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-naphthalen-1-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-naphthalen-1-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(1-naphthyl)pyrimidine-4,5,6-triamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(1-naphthalenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-(1-naphthyl)amine Formula: C21H15ClF3N5 MolecularWeight: 429.82551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)N

InChI

InChI=1S/C21H15ClF3N5/c22-15-9-8-13(21(23,24)25)10-17(15)30-20-18(26)19(27-11-28-20)29-16-7-3-5-12-4-1-2-6-14(12)16/h1-11H,26H2,(H2,27,28,29,30)