2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C20H21BrN6OS MolecularWeight: 473.38934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)Br

InChI

InChI=1S/C20H21BrN6OS/c1-12-8-9-16(15(21)10-12)24-17(28)11-29-13(2)18-25-19(22)27-20(26-18)23-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,24,28)(H3,22,23,25,26,27)