2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-propyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-propylpyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-propyl-pyrimidine-5-carboxylic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)O)SC

InChI

InChI=1S/C9H12N2O2S/c1-3-4-7-6(8(12)13)5-10-9(11-7)14-2/h5H,3-4H2,1-2H3,(H,12,13)