2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[2,4-bis(fluoranyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[2,4-bis(fluoranyl)phenyl]quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(2,4-difluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(2,4-difluorophenyl)quinazolin-4-one Formula: C23H15F2N5OS MolecularWeight: 447.459906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F)N

InChI

InChI=1S/C23H15F2N5OS/c24-13-9-10-19(16(25)11-13)30-22(31)15-6-2-4-8-18(15)28-23(30)32-12-20-27-17-7-3-1-5-14(17)21(26)29-20/h1-11H,12H2,(H2,26,27,29)