4-methyl-6-(3-methylbutylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-isopentylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-methylbutylthio)-2-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(isoamylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Formula: C17H19N2O2S- MolecularWeight: 315.40996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-11(2)9-10-22-16-14(17(20)21)12(3)18-15(19-16)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,20,21)/p-1