sodium 1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxylate

Systemtic Name: sodium 1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxylate Openeye Name: sodium 1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate CAS Name: sodium 1-methyl-4-[[[1-methyl-4-[[(1-methyl-2-imidazolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-imidazolecarboxylate IUPAC Name: sodium 1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate Traditional Name: sodium 1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate Formula: C16H16N7NaO4 MolecularWeight: 393.33251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=N3)C(=O)[O-])C)C.[Na+]

Isomeric SMILES

CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=N3)C(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C16H17N7O4.Na/c1-21-5-4-17-12(21)15(25)18-9-6-10(22(2)7-9)14(24)20-11-8-23(3)13(19-11)16(26)27;/h4-8H,1-3H3,(H,18,25)(H,20,24)(H,26,27);/q;+1/p-1