2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-cinnamyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[(E)-3-phenylprop-2-enyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-cinnamyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-11-14(16(19)20)15(18-12(2)17-11)21-10-6-9-13-7-4-3-5-8-13/h3-9H,10H2,1-2H3,(H,19,20)/b9-6+