5-methoxycarbonyl-6-methylsulfonyl-2-phenyl-pyrimidin-4-olate

Systemtic Name: 5-methoxycarbonyl-6-methylsulfonyl-2-phenyl-pyrimidin-4-olate Openeye Name: 5-methoxycarbonyl-6-methylsulfonyl-2-phenyl-pyrimidin-4-olate CAS Name: 5-methoxycarbonyl-6-methylsulfonyl-2-phenyl-4-pyrimidinolate IUPAC Name: 5-methoxycarbonyl-6-methylsulfonyl-2-phenylpyrimidin-4-olate Traditional Name: 5-carbomethoxy-6-mesyl-2-phenyl-pyrimidin-4-olate Formula: C13H11N2O5S- MolecularWeight: 307.30184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1S(=O)(=O)C)C2=CC=CC=C2)[O-]

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1S(=O)(=O)C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-20-13(17)9-11(16)14-10(8-6-4-3-5-7-8)15-12(9)21(2,18)19/h3-7H,1-2H3,(H,14,15,16)/p-1