4-methyl-2-phenyl-6-prop-2-enylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-phenyl-6-prop-2-enylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-allylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-phenyl-6-(prop-2-enylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-phenyl-6-prop-2-enylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(allylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S/c1-3-9-20-14-12(15(18)19)10(2)16-13(17-14)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3,(H,18,19)