N-(3-bromanyl-4-fluoranyl-phenyl)-6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine

Systemtic Name: N-(3-bromanyl-4-fluoranyl-phenyl)-6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine Openeye Name: N-(3-bromo-4-fluoro-phenyl)-6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine CAS Name: N-(3-bromo-4-fluorophenyl)-6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-4-quinazolinamine IUPAC Name: N-(3-bromo-4-fluorophenyl)-6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine Traditional Name: [6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-yl]-(3-bromo-4-fluoro-phenyl)amine Formula: C20H21BrFN3O4 MolecularWeight: 476.362461

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Br)OCCOC

Isomeric SMILES

[2H]C([2H])([2H])OC([2H])([2H])COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Br)OCC([2H])([2H])OC([2H])([2H])[2H]

InChI

InChI=1S/C20H21BrFN3O4/c1-26-5-7-28-18-10-14-17(11-19(18)29-8-6-27-2)23-12-24-20(14)25-13-3-4-16(22)15(21)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,23,24,25)/i1D3,2D3,5D2,6D2