6-[[6-(ethylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]hexylazanium

Systemtic Name: 6-[[6-(ethylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]hexylazanium Openeye Name: 6-[[6-(ethylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]amino]hexylammonium CAS Name: 6-[[6-[(ethylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]amino]hexylammonium IUPAC Name: 6-[[6-(ethylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]amino]hexylazanium Traditional Name: 6-[[6-[(ethylthio)methyl]-4-keto-1H-pyrimidin-2-yl]amino]hexylammonium Formula: C13H25N4OS+ MolecularWeight: 285.4288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC(=O)N=C(N1)NCCCCCC[NH3+]

Isomeric SMILES

CCSCC1=CC(=O)N=C(N1)NCCCCCC[NH3+]

InChI

InChI=1S/C13H24N4OS/c1-2-19-10-11-9-12(18)17-13(16-11)15-8-6-4-3-5-7-14/h9H,2-8,10,14H2,1H3,(H2,15,16,17,18)/p+1