N-(3-chloranyl-4-fluoranyl-phenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(1,2,4-triazol-1-yl)quinazolin-4-yl]amine Formula: C16H10ClFN6 MolecularWeight: 340.742203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=NC3=C2C=C(C=C3)N4C=NC=N4)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=C2C=C(C=C3)N4C=NC=N4)Cl)F

InChI

InChI=1S/C16H10ClFN6/c17-13-5-10(1-3-14(13)18)23-16-12-6-11(24-9-19-7-22-24)2-4-15(12)20-8-21-16/h1-9H,(H,20,21,23)