2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C25H20FN7OS MolecularWeight: 485.536003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N)F

InChI

InChI=1S/C25H20FN7OS/c1-15-11-12-17(13-19(15)26)33-22(34)18-9-5-6-10-20(18)29-25(33)35-14-21-30-23(27)32-24(31-21)28-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H3,27,28,30,31,32)