2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]-N-phenethyl-acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N6OS/c1-15-7-9-17(10-8-15)24-21-26-18(25-20(22)27-21)13-29-14-19(28)23-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,28)(H3,22,24,25,26,27)