2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C27H23ClFN3O4S MolecularWeight: 540.005623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H23ClFN3O4S/c1-35-19-8-6-18(7-9-19)32-26(34)20-10-5-17(25(33)31-11-13-36-14-12-31)15-24(20)30-27(32)37-16-21-22(28)3-2-4-23(21)29/h2-10,15H,11-14,16H2,1H3