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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-phenethyl-propanamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-phenethylpropanamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-phenethylpropanamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-phenethyl-propionamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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