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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-3-methyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-3-methyl-quinazolin-4-one Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C20H19N7OS/c1-12-7-3-5-9-14(12)22-19-25-16(24-18(21)26-19)11-29-20-23-15-10-6-4-8-13(15)17(28)27(20)2/h3-10H,11H2,1-2H3,(H3,21,22,24,25,26)