2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C12H21N6OS+ MolecularWeight: 297.39974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H20N6OS/c1-2-17-3-5-18(6-4-17)11(19)8-20-12-15-9(13)7-10(14)16-12/h7H,2-6,8H2,1H3,(H4,13,14,15,16)/p+1