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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(methylsulfonylmethylamino)butoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]oxybutyl-(mesylmethyl)amine Formula: C20H22ClFN4O3S MolecularWeight: 452.930083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)CNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN4O3S/c1-30(27,28)13-23-8-2-3-9-29-15-5-7-19-16(11-15)20(25-12-24-19)26-14-4-6-18(22)17(21)10-14/h4-7,10-12,23H,2-3,8-9,13H2,1H3,(H,24,25,26)