2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3,5-dimethylphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H25ClFN3O2S MolecularWeight: 522.033403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F)C

InChI

InChI=1S/C28H25ClFN3O2S/c1-17-12-18(2)14-20(13-17)33-27(35)21-9-8-19(26(34)32-10-3-4-11-32)15-25(21)31-28(33)36-16-22-23(29)6-5-7-24(22)30/h5-9,12-15H,3-4,10-11,16H2,1-2H3