2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(3-piperidin-1-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-[3-(1-piperidyl)propyl]quinazolin-4-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-[3-(1-piperidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-(3-piperidinopropyl)quinazolin-4-one Formula: C23H25ClFN3OS MolecularWeight: 445.980503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H25ClFN3OS/c24-20-15-18(25)10-9-17(20)16-30-23-26-21-8-3-2-7-19(21)22(29)28(23)14-6-13-27-11-4-1-5-12-27/h2-3,7-10,15H,1,4-6,11-14,16H2