3-(oxolan-2-ylmethyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(oxolan-2-ylmethyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxolanylmethyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(oxolan-2-ylmethyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C25H27N3O3S/c29-23(27-13-3-4-14-27)19-11-9-18(10-12-19)17-32-25-26-22-8-2-1-7-21(22)24(30)28(25)16-20-6-5-15-31-20/h1-2,7-12,20H,3-6,13-17H2