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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-3-butyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-3-butyl-quinazolin-4-one Formula: C23H25N7OS MolecularWeight: 447.5559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

InChI

InChI=1S/C23H25N7OS/c1-3-4-13-30-20(31)16-10-6-8-12-18(16)26-23(30)32-14-19-27-21(24)29-22(28-19)25-17-11-7-5-9-15(17)2/h5-12H,3-4,13-14H2,1-2H3,(H3,24,25,27,28,29)