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

Systemtic Name: 2-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylthio]-N-phenethylpropanamide IUPAC Name: 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methylthio]-N-phenethyl-propionamide Formula: C21H23ClN6OS MolecularWeight: 442.96492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H23ClN6OS/c1-14(19(29)24-12-11-15-5-3-2-4-6-15)30-13-18-26-20(23)28-21(27-18)25-17-9-7-16(22)8-10-17/h2-10,14H,11-13H2,1H3,(H,24,29)(H3,23,25,26,27,28)