tripotassium 3-[[3,5-bis[(3-carboxylatopyrazin-2-yl)carbamoyl]phenyl]carbonylamino]pyrazine-2-carboxylate

Systemtic Name: tripotassium 3-[[3,5-bis[(3-carboxylatopyrazin-2-yl)carbamoyl]phenyl]carbonylamino]pyrazine-2-carboxylate Openeye Name: tripotassium 3-[[3,5-bis[(3-carboxylatopyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazine-2-carboxylate CAS Name: tripotassium 3-[[[3,5-bis[[(3-carboxylato-2-pyrazinyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-2-pyrazinecarboxylate IUPAC Name: tripotassium 3-[[3,5-bis[(3-carboxylatopyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazine-2-carboxylate Traditional Name: tripotassium 3-[[3,5-bis[(3-carboxylatopyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazinate Formula: C24H12K3N9O9 MolecularWeight: 687.70188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)C(=O)[O-])NC(=O)C2=CC(=CC(=C2)C(=O)NC3=NC=CN=C3C(=O)[O-])C(=O)NC4=NC=CN=C4C(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CN=C(C(=N1)C(=O)[O-])NC(=O)C2=CC(=CC(=C2)C(=O)NC3=NC=CN=C3C(=O)[O-])C(=O)NC4=NC=CN=C4C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C24H15N9O9.3K/c34-19(31-16-13(22(37)38)25-1-4-28-16)10-7-11(20(35)32-17-14(23(39)40)26-2-5-29-17)9-12(8-10)21(36)33-18-15(24(41)42)27-3-6-30-18;;;/h1-9H,(H,37,38)(H,39,40)(H,41,42)(H,28,31,34)(H,29,32,35)(H,30,33,36);;;/q;3*+1/p-3