4-methyl-2-propan-2-yl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-propan-2-yl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-propan-2-yl-6-(prop-2-ynylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-propan-2-yl-6-prop-2-ynylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(propargylthio)pyrimidine-5-carboxylic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC#C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC#C)C(=O)O

InChI

InChI=1S/C12H14N2O2S/c1-5-6-17-11-9(12(15)16)8(4)13-10(14-11)7(2)3/h1,7H,6H2,2-4H3,(H,15,16)