6-[[4-methylsulfanyl-6-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid

Systemtic Name: 6-[[4-methylsulfanyl-6-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid Openeye Name: 6-[[4-[(6-hydroxy-6-oxo-hexyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]hexanoic acid CAS Name: 6-[[4-[(6-hydroxy-6-oxohexyl)amino]-6-(methylthio)-1,3,5-triazin-2-yl]amino]hexanoic acid IUPAC Name: 6-[[4-[(6-hydroxy-6-oxohexyl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]hexanoic acid Traditional Name: 6-[[4-[(6-hydroxy-6-keto-hexyl)amino]-6-(methylthio)-s-triazin-2-yl]amino]hexanoic acid Formula: C16H27N5O4S MolecularWeight: 385.48168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O

Isomeric SMILES

CSC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O

InChI

InChI=1S/C16H27N5O4S/c1-26-16-20-14(17-10-6-2-4-8-12(22)23)19-15(21-16)18-11-7-3-5-9-13(24)25/h2-11H2,1H3,(H,22,23)(H,24,25)(H2,17,18,19,20,21)