2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H23ClFN3O3S MolecularWeight: 524.006223

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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)N4CCCC4)N=C2SCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C27H23ClFN3O3S/c1-35-21-9-7-20(8-10-21)32-26(34)22-11-5-17(25(33)31-12-2-3-13-31)14-24(22)30-27(32)36-16-18-4-6-19(29)15-23(18)28/h4-11,14-15H,2-3,12-13,16H2,1H3