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

Systemtic Name: 2-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)thio]propanoic acid IUPAC Name: 2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4,6-dianilino-s-triazin-2-yl)thio]propionic acid Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-12(15(24)25)26-18-22-16(19-13-8-4-2-5-9-13)21-17(23-18)20-14-10-6-3-7-11-14/h2-12H,1H3,(H,24,25)(H2,19,20,21,22,23)