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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H24N6OS/c1-3-15-9-7-8-14(2)19(15)26-18(28)13-29-12-17-24-20(22)27-21(25-17)23-16-10-5-4-6-11-16/h4-11H,3,12-13H2,1-2H3,(H,26,28)(H3,22,23,24,25,27)