N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C18H14F3N3O4/c1-25-13-6-10-11(7-14(13)26-2)23-17(18(19,20)21)24-16(10)22-9-3-4-12-15(5-9)28-8-27-12/h3-7H,8H2,1-2H3,(H,22,23,24)