4-methyl-6-pentylsulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-pentylsulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(pentylthio)-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-pentylsulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(amylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C14H22N2O2S/c1-5-6-7-8-19-13-11(14(17)18)10(4)15-12(16-13)9(2)3/h9H,5-8H2,1-4H3,(H,17,18)