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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-piperonyl-amine Formula: C17H11BrF3N3O2 MolecularWeight: 426.18735

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C17H11BrF3N3O2/c18-10-2-3-12-11(6-10)15(24-16(23-12)17(19,20)21)22-7-9-1-4-13-14(5-9)26-8-25-13/h1-6H,7-8H2,(H,22,23,24)