2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[(4,6-dipiperidino-s-triazin-2-yl)thio]propionic acid Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)N2CCCCC2)N3CCCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)N2CCCCC2)N3CCCCC3

InChI

InChI=1S/C16H25N5O2S/c1-12(13(22)23)24-16-18-14(20-8-4-2-5-9-20)17-15(19-16)21-10-6-3-7-11-21/h12H,2-11H2,1H3,(H,22,23)