2-methylsulfanyl-4-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-isopropyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

CC(C)C1=NC(=NC=C1C(=O)O)SC

InChI

InChI=1S/C9H12N2O2S/c1-5(2)7-6(8(12)13)4-10-9(11-7)14-3/h4-5H,1-3H3,(H,12,13)