7-chloranyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 7-chloro-2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H20ClFN2O3S MolecularWeight: 434.911503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4)F

InChI

InChI=1S/C21H20ClFN2O3S/c1-27-19-7-4-13(9-17(19)23)12-29-21-24-18-10-14(22)5-6-16(18)20(26)25(21)11-15-3-2-8-28-15/h4-7,9-10,15H,2-3,8,11-12H2,1H3