4-butan-2-ylsulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butan-2-ylsulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-sec-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butan-2-ylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butan-2-ylsulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-methyl-6-(sec-butylthio)pyrimidine-5-carboxylic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C2CC2

Isomeric SMILES

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C2CC2

InChI

InChI=1S/C13H18N2O2S/c1-4-7(2)18-12-10(13(16)17)8(3)14-11(15-12)9-5-6-9/h7,9H,4-6H2,1-3H3,(H,16,17)