4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1H-pyrrole-2-carboxylate Formula: C11H10N4O4S-2 MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O4S/c1-6-3-7(2)14-11(13-6)15-20(18,19)8-4-9(10(16)17)12-5-8/h3-5,12H,1-2H3,(H2,13,14,15,16,17)/p-2