2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide

Systemtic Name: 2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Openeye Name: 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide CAS Name: 2-[[4-(3,4-difluoroanilino)-2-quinazolinyl]thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Traditional Name: 2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]thio]-N-(3-methoxypropyl)butyramide Formula: C22H24F2N4O2S MolecularWeight: 446.513366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCOC)SC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCC(C(=O)NCCCOC)SC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H24F2N4O2S/c1-3-19(21(29)25-11-6-12-30-2)31-22-27-18-8-5-4-7-15(18)20(28-22)26-14-9-10-16(23)17(24)13-14/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3,(H,25,29)(H,26,27,28)