2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-butyl-N-methyl-ethanamide

Systemtic Name: 2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-butyl-N-methyl-ethanamide Openeye Name: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-butyl-2-[[4-(3,4-difluoroanilino)-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-butyl-2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H22F2N4OS MolecularWeight: 416.487386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H22F2N4OS/c1-3-4-11-27(2)19(28)13-29-21-25-18-8-6-5-7-15(18)20(26-21)24-14-9-10-16(22)17(23)12-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,25,26)