2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(4-fluorophenyl)butyramide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21FN4OS/c1-2-18(20(27)24-15-9-7-13(22)8-10-15)28-21-25-17-6-4-3-5-16(17)19(26-21)23-14-11-12-14/h3-10,14,18H,2,11-12H2,1H3,(H,24,27)(H,23,25,26)