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

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-(3-methoxypropyl)butyramide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCOC)SC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NCCCOC)SC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O2S/c1-3-19(21(28)24-13-6-14-29-2)30-22-26-18-8-5-4-7-17(18)20(27-22)25-16-11-9-15(23)10-12-16/h4-5,7-12,19H,3,6,13-14H2,1-2H3,(H,24,28)(H,25,26,27)