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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21FN4OS/c1-13(20(27)23-12-14-6-8-15(22)9-7-14)28-21-25-18-5-3-2-4-17(18)19(26-21)24-16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H,23,27)(H,24,25,26)