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

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O2S/c1-27-12-4-11-22-18(26)13-28-20-24-17-6-3-2-5-16(17)19(25-20)23-15-9-7-14(21)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,22,26)(H,23,24,25)