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

Systemtic Name: 2,4-dimethyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-isopentylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-(3-methylbutylthio)-5-pyrimidinecarboxylate IUPAC Name: 2,4-dimethyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-(isoamylthio)-2,6-dimethyl-pyrimidine-5-carboxylate Formula: C12H17N2O2S- MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S/c1-7(2)5-6-17-11-10(12(15)16)8(3)13-9(4)14-11/h7H,5-6H2,1-4H3,(H,15,16)/p-1