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

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenyl-propanamide CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-N-phenylpropanamide IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]-N-phenyl-propionamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N6OS/c1-13-8-10-16(11-9-13)23-20-25-17(24-19(21)26-20)12-28-14(2)18(27)22-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,22,27)(H3,21,23,24,25,26)