2,4-dimethyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2,4-dimethyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2,4-dimethyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylate IUPAC Name: 2,4-dimethyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-11-14(16(19)20)15(18-12(2)17-11)21-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,20)/p-1