6-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-veratryl-amine Formula: C18H15BrF3N3O2 MolecularWeight: 442.22981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)OC

InChI

InChI=1S/C18H15BrF3N3O2/c1-26-14-6-3-10(7-15(14)27-2)9-23-16-12-8-11(19)4-5-13(12)24-17(25-16)18(20,21)22/h3-8H,9H2,1-2H3,(H,23,24,25)