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

Systemtic Name: N-butan-2-yl-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-sec-butyl-acetamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4OS/c1-3-13(2)22-18(26)12-27-20-24-17-7-5-4-6-16(17)19(25-20)23-15-10-8-14(21)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,22,26)(H,23,24,25)