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

Systemtic Name: 2-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]thio]acetic acid IUPAC Name: 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-anilino-6-piperidino-s-triazin-2-yl)thio]acetic acid Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c22-13(23)11-24-16-19-14(17-12-7-3-1-4-8-12)18-15(20-16)21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-11H2,(H,22,23)(H,17,18,19,20)