4-(furan-2-ylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-furylmethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-furanylmethylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-furfurylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=CO2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-7-10(12(15)16)11(14-8(2)13-7)18-6-9-4-3-5-17-9/h3-5H,6H2,1-2H3,(H,15,16)