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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H20ClN3O3S/c22-14-8-9-16-17(11-14)24-21(25(20(16)27)12-15-7-4-10-28-15)29-18(19(23)26)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15,18H,4,7,10,12H2,(H2,23,26)