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

Systemtic Name: N-butyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine CAS Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinamine IUPAC Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-amine Traditional Name: butyl-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-yl]amine Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H22FN3O2S/c1-2-3-8-23-20-17-6-4-5-7-18(17)24-21(25-20)28-12-15-10-16(22)9-14-11-26-13-27-19(14)15/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,23,24,25)