3-[[4-butylsulfanyl-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[4-butylsulfanyl-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-butylsulfanyl-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: 3-[[4-(butylthio)-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 3-[[4-butylsulfanyl-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-(butylthio)-6-(2-carboxyethylamino)-s-triazin-2-yl]amino]propionic acid Formula: C13H21N5O4S MolecularWeight: 343.40194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=N1)NCCC(=O)O)NCCC(=O)O

Isomeric SMILES

CCCCSC1=NC(=NC(=N1)NCCC(=O)O)NCCC(=O)O

InChI

InChI=1S/C13H21N5O4S/c1-2-3-8-23-13-17-11(14-6-4-9(19)20)16-12(18-13)15-7-5-10(21)22/h2-8H2,1H3,(H,19,20)(H,21,22)(H2,14,15,16,17,18)