N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C16H9BrF3N3O2 MolecularWeight: 412.16077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C16H9BrF3N3O2/c17-8-1-3-11-10(5-8)14(23-15(22-11)16(18,19)20)21-9-2-4-12-13(6-9)25-7-24-12/h1-6H,7H2,(H,21,22,23)