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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C13H20N2O2S/c1-5-6-7-18-12-10(13(16)17)9(4)14-11(15-12)8(2)3/h8H,5-7H2,1-4H3,(H,16,17)