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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]propanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]propanamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-[(2-chlorophenyl)methyl]propanamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]propanamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(2-chlorobenzyl)propionamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H21ClN6OS/c1-13(18(28)23-11-14-7-5-6-10-16(14)21)29-12-17-25-19(22)27-20(26-17)24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,23,28)(H3,22,24,25,26,27)