3-[2,4-bis(fluoranyl)phenyl]-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-difluorophenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-difluorophenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(2,4-difluorophenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-difluorophenyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C26H21F2N3O2S MolecularWeight: 477.525646

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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)N3C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C26H21F2N3O2S/c27-19-11-12-23(21(28)15-19)31-25(33)20-5-1-2-6-22(20)29-26(31)34-16-17-7-9-18(10-8-17)24(32)30-13-3-4-14-30/h1-2,5-12,15H,3-4,13-14,16H2