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

Systemtic Name: N-(1-adamantyl)-2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]acetamide Formula: C23H30N6OS MolecularWeight: 438.5889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N6OS/c1-14(20-26-21(24)28-22(27-20)25-18-5-3-2-4-6-18)31-13-19(30)29-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,14-17H,7-13H2,1H3,(H,29,30)(H3,24,25,26,27,28)