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

Systemtic Name: 2-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-anilino-6-piperidino-s-triazin-2-yl)thio]propionic acid Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H21N5O2S/c1-12(14(23)24)25-17-20-15(18-13-8-4-2-5-9-13)19-16(21-17)22-10-6-3-7-11-22/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,23,24)(H,18,19,20,21)