2-[(4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)amino]thiazole-4-carboxylic acid CAS Name: 2-[(4,6-ditert-butyl-5-hydroxy-2-pyrimidinyl)amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[(4,6-ditert-butyl-5-hydroxypyrimidin-2-yl)amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)amino]thiazole-4-carboxylic acid Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC(=N1)NC2=NC(=CS2)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=NC(=N1)NC2=NC(=CS2)C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C16H22N4O3S/c1-15(2,3)10-9(21)11(16(4,5)6)19-13(18-10)20-14-17-8(7-24-14)12(22)23/h7,21H,1-6H3,(H,22,23)(H,17,18,19,20)