4-(3,3-dimethylbutylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3,3-dimethylbutylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3,3-dimethylbutylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3,3-dimethylbutylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3,3-dimethylbutylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(3,3-dimethylbutylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H20N2O2S/c1-8-10(12(16)17)11(15-9(2)14-8)18-7-6-13(3,4)5/h6-7H2,1-5H3,(H,16,17)