2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19ClFN3O3S/c22-13-3-8-17-18(10-13)25-21(26(20(17)28)11-16-2-1-9-29-16)30-12-19(27)24-15-6-4-14(23)5-7-15/h3-8,10,16H,1-2,9,11-12H2,(H,24,27)