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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-3-cyclopentyl-quinazolin-4-one Formula: C24H25N7OS MolecularWeight: 459.5666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C24H25N7OS/c1-15-8-2-6-12-18(15)26-23-29-20(28-22(25)30-23)14-33-24-27-19-13-7-5-11-17(19)21(32)31(24)16-9-3-4-10-16/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H3,25,26,28,29,30)