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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-fluorophenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H20ClF2N3O2S MolecularWeight: 511.970706

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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=C(C=CC=C4Cl)F)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClF2N3O2S/c27-21-4-3-5-22(29)20(21)15-35-26-30-23-14-16(24(33)31-12-1-2-13-31)6-11-19(23)25(34)32(26)18-9-7-17(28)8-10-18/h3-11,14H,1-2,12-13,15H2