2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4OS/c1-14(2)11-12-23-19(27)13-28-21-25-18-6-4-3-5-17(18)20(26-21)24-16-9-7-15(22)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,23,27)(H,24,25,26)