2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-[3-(2-ketopyrrolidino)propyl]quinazolin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCC4=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCC4=O

InChI

InChI=1S/C25H27N3O4S/c1-17(29)18-10-11-22(32-2)19(15-18)16-33-25-26-21-8-4-3-7-20(21)24(31)28(25)14-6-13-27-12-5-9-23(27)30/h3-4,7-8,10-11,15H,5-6,9,12-14,16H2,1-2H3