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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C24H18FN5OS MolecularWeight: 443.496023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)F

InChI

InChI=1S/C24H18FN5OS/c1-14-10-11-15(12-18(14)25)30-23(31)17-7-3-5-9-20(17)28-24(30)32-13-21-27-19-8-4-2-6-16(19)22(26)29-21/h2-12H,13H2,1H3,(H2,26,27,29)