2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3-phenyl-butanoic acid

Systemtic Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3-phenyl-butanoic acid Openeye Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3-phenyl-butanoic acid CAS Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)thio]-3-methyl-3-phenylbutanoic acid IUPAC Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-3-methyl-3-phenylbutanoic acid Traditional Name: 2-[(4,6-dimethoxy-s-triazin-2-yl)thio]-3-methyl-3-phenyl-butyric acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(C(=O)O)SC2=NC(=NC(=N2)OC)OC

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(C(=O)O)SC2=NC(=NC(=N2)OC)OC

InChI

InChI=1S/C16H19N3O4S/c1-16(2,10-8-6-5-7-9-10)11(12(20)21)24-15-18-13(22-3)17-14(19-15)23-4/h5-9,11H,1-4H3,(H,20,21)