2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[(4,6-dipiperidino-s-triazin-2-yl)thio]-1-phenyl-ethanone Formula: C21H27N5OS MolecularWeight: 397.53698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H27N5OS/c27-18(17-10-4-1-5-11-17)16-28-21-23-19(25-12-6-2-7-13-25)22-20(24-21)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-16H2