2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2,4-dimethyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C15H15N2O2S- MolecularWeight: 287.3568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H16N2O2S/c1-10-13(15(18)19)14(17-11(2)16-10)20-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,19)/p-1