2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-(tetrahydrofurfuryl)acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2S/c22-14-7-9-15(10-8-14)24-20-17-5-1-2-6-18(17)25-21(26-20)29-13-19(27)23-12-16-4-3-11-28-16/h1-2,5-10,16H,3-4,11-13H2,(H,23,27)(H,24,25,26)