4-butan-2-ylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butan-2-ylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-sec-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butan-2-ylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butan-2-ylsulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(sec-butylthio)pyrimidine-5-carboxylic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C13H20N2O2S/c1-6-8(4)18-12-10(13(16)17)9(5)14-11(15-12)7(2)3/h7-8H,6H2,1-5H3,(H,16,17)