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

Systemtic Name: 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4,6-dipyrrolidino-s-triazin-2-yl)thio]propionic acid Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)N2CCCC2)N3CCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)N2CCCC2)N3CCCC3

InChI

InChI=1S/C14H21N5O2S/c1-10(11(20)21)22-14-16-12(18-6-2-3-7-18)15-13(17-14)19-8-4-5-9-19/h10H,2-9H2,1H3,(H,20,21)