2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C21H21BrFN3O3S MolecularWeight: 494.377143

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21BrFN3O3S/c1-2-29-10-4-9-26-20(28)17-11-14(22)7-8-18(17)25-21(26)30-13-19(27)24-16-6-3-5-15(23)12-16/h3,5-8,11-12H,2,4,9-10,13H2,1H3,(H,24,27)