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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3-fluorophenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-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=C4Cl)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H21ClFN3O2S/c27-22-9-2-1-6-18(22)16-34-26-29-23-14-17(24(32)30-12-3-4-13-30)10-11-21(23)25(33)31(26)20-8-5-7-19(28)15-20/h1-2,5-11,14-15H,3-4,12-13,16H2