6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-N-(4-fluorophenyl)quinazolin-4-amine

Systemtic Name: 6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-N-(4-fluorophenyl)quinazolin-4-amine Openeye Name: 6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-N-(4-fluorophenyl)quinazolin-4-amine CAS Name: 6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-N-(4-fluorophenyl)-4-quinazolinamine IUPAC Name: 6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]-N-(4-fluorophenyl)quinazolin-4-amine Traditional Name: [6,7-bis[2,2-dideuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-yl]-(4-fluorophenyl)amine Formula: C20H22FN3O4 MolecularWeight: 397.466401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,24)/i1D3,2D3,7D2,8D2