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

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-phenethyl-propanamide CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-N-phenethylpropanamide IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-phenethylpropanamide Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-N-phenethyl-propionamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC(C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N6OS/c1-15(30-16(2)20(29)24-14-13-17-9-5-3-6-10-17)19-26-21(23)28-22(27-19)25-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)