2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)quinazolin-4-amine

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)quinazolin-4-amine Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)quinazolin-4-amine CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(2-methoxyethyl)-4-quinazolinamine IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)quinazolin-4-amine Traditional Name: [2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-yl]-(2-methoxyethyl)amine Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

COCCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H20FN3O3S/c1-25-7-6-22-19-16-4-2-3-5-17(16)23-20(24-19)28-11-14-9-15(21)8-13-10-26-12-27-18(13)14/h2-5,8-9H,6-7,10-12H2,1H3,(H,22,23,24)