3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]propanoic acid IUPAC Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4,6-diamino-s-triazin-2-yl)methylthio]propionic acid Formula: C7H11N5O2S MolecularWeight: 229.25954

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC1=NC(=NC(=N1)N)N)C(=O)O

Isomeric SMILES

C(CSCC1=NC(=NC(=N1)N)N)C(=O)O

InChI

InChI=1S/C7H11N5O2S/c8-6-10-4(11-7(9)12-6)3-15-2-1-5(13)14/h1-3H2,(H,13,14)(H4,8,9,10,11,12)