N-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-amine dihydrochloride

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-amine dihydrochloride Openeye Name: N-(3-chloro-4-fluoro-phenyl)quinazolin-4-amine dihydrochloride CAS Name: N-(3-chloro-4-fluorophenyl)-4-quinazolinamine dihydrochloride IUPAC Name: N-(3-chloro-4-fluorophenyl)quinazolin-4-amine dihydrochloride Traditional Name: (3-chloro-4-fluoro-phenyl)-quinazolin-4-yl-amine dihydrochloride Formula: C14H11Cl3FN3 MolecularWeight: 346.614643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl.Cl.Cl

InChI

InChI=1S/C14H9ClFN3.2ClH/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14;;/h1-8H,(H,17,18,19);2*1H