2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-[3-(2-ketopyrrolidino)propyl]quinazolin-4-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H21ClFN3O2S/c23-17-7-3-8-18(24)16(17)14-30-22-25-19-9-2-1-6-15(19)21(29)27(22)13-5-12-26-11-4-10-20(26)28/h1-3,6-9H,4-5,10-14H2