2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2,2-diethoxyethyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2,2-diethoxyethyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(2,2-diethoxyethyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(2,2-diethoxyethyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2,2-diethoxyethyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(2,2-diethoxyethyl)quinazolin-4-one Formula: C21H22ClFN2O3S MolecularWeight: 436.927383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F)OCC

Isomeric SMILES

CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F)OCC

InChI

InChI=1S/C21H22ClFN2O3S/c1-3-27-19(28-4-2)12-25-20(26)14-8-5-6-11-18(14)24-21(25)29-13-15-16(22)9-7-10-17(15)23/h5-11,19H,3-4,12-13H2,1-2H3