4-methyl-2-propan-2-yl-6-prop-2-enylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-2-propan-2-yl-6-prop-2-enylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-allylsulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-propan-2-yl-6-(prop-2-enylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-2-propan-2-yl-6-prop-2-enylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(allylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylate Formula: C12H15N2O2S- MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-5-6-17-11-9(12(15)16)8(4)13-10(14-11)7(2)3/h5,7H,1,6H2,2-4H3,(H,15,16)/p-1