2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-3-phenyl-quinazolin-4-one Formula: C25H21N7OS MolecularWeight: 467.54554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H21N7OS/c1-16-9-5-7-13-19(16)27-24-30-21(29-23(26)31-24)15-34-25-28-20-14-8-6-12-18(20)22(33)32(25)17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H3,26,27,29,30,31)