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

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate Formula: C12H12N4O4S-2 MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-7-4-8(2)14-12(13-7)15-21(19,20)9-5-10(11(17)18)16(3)6-9/h4-6H,1-3H3,(H2,13,14,15,17,18)/p-2