2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]-1-(4-phenylpiperazino)ethanone Formula: C23H27N7OS MolecularWeight: 449.57178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N7OS/c1-17(21-26-22(24)28-23(27-21)25-18-8-4-2-5-9-18)32-16-20(31)30-14-12-29(13-15-30)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H3,24,25,26,27,28)