4-methyl-6-(2-methylpropylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-6-(2-methylpropylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-isobutylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(2-methylpropylthio)-2-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-6-(2-methylpropylsulfanyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(isobutylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-10(2)9-21-15-13(16(19)20)11(3)17-14(18-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,20)/p-1