trisodium 2-[[4,6-bis[(4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: trisodium 2-[[4,6-bis[(4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: trisodium 2-[[4,6-bis[(1-carboxylato-3-methylsulfanyl-propyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanyl-butanoate CAS Name: trisodium 2-[[4,6-bis[[4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-(methylthio)butanoate IUPAC Name: trisodium 2-[[4,6-bis[(4-methylsulfanyl-1-oxido-1-oxobutan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methylsulfanylbutanoate Traditional Name: trisodium 2-[[4,6-bis[[1-carboxylato-3-(methylthio)propyl]amino]-s-triazin-2-yl]amino]-4-(methylthio)butyrate Formula: C18H27N6Na3O6S3 MolecularWeight: 588.60789

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC(=NC(=N1)NC(CCSC)C(=O)[O-])NC(CCSC)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CSCCC(C(=O)[O-])NC1=NC(=NC(=N1)NC(CCSC)C(=O)[O-])NC(CCSC)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H30N6O6S3.3Na/c1-31-7-4-10(13(25)26)19-16-22-17(20-11(14(27)28)5-8-32-2)24-18(23-16)21-12(15(29)30)6-9-33-3;;;/h10-12H,4-9H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)(H3,19,20,21,22,23,24);;;/q;3*+1/p-3