2-[5-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylthiophen-2-yl]ethanoate

Systemtic Name: 2-[5-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylthiophen-2-yl]ethanoate Openeye Name: 2-[5-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-2-thienyl]acetate CAS Name: 2-[5-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylthiophen-2-yl]acetate Traditional Name: 2-[5-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-2-thienyl]acetate Formula: C12H11N3O4S2-2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(S2)CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(S2)CC(=O)[O-])C

InChI

InChI=1S/C12H13N3O4S2/c1-7-5-8(2)14-12(13-7)15-21(18,19)11-4-3-9(20-11)6-10(16)17/h3-5H,6H2,1-2H3,(H2,13,14,15,16,17)/p-2