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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H22ClF2N3O2S MolecularWeight: 525.997286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H22ClF2N3O2S/c28-22-8-5-9-23(30)21(22)16-36-27-31-24-14-17(25(34)32-12-2-1-3-13-32)10-11-20(24)26(35)33(27)19-7-4-6-18(29)15-19/h4-11,14-15H,1-3,12-13,16H2