4-methyl-6-prop-2-enylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-prop-2-enylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-allylsulfanyl-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(prop-2-enylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-prop-2-enylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(allylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC=C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC=C)C(=O)O

InChI

InChI=1S/C13H12N2O2S2/c1-3-6-19-12-10(13(16)17)8(2)14-11(15-12)9-5-4-7-18-9/h3-5,7H,1,6H2,2H3,(H,16,17)