2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(3-fluorophenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H21ClFN3O2S MolecularWeight: 493.980243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H21ClFN3O2S/c27-19-6-3-5-17(13-19)16-34-26-29-23-14-18(24(32)30-11-1-2-12-30)9-10-22(23)25(33)31(26)21-8-4-7-20(28)15-21/h3-10,13-15H,1-2,11-12,16H2