N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]oxybutyl-(2-mesylethyl)amine Formula: C21H24ClFN4O3S MolecularWeight: 466.956663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O3S/c1-31(28,29)11-9-24-8-2-3-10-30-16-5-7-20-17(13-16)21(26-14-25-20)27-15-4-6-19(23)18(22)12-15/h4-7,12-14,24H,2-3,8-11H2,1H3,(H,25,26,27)