3-[[3,5-bis[(3-carboxypyrazin-2-yl)carbamoyl]phenyl]carbonylamino]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[3,5-bis[(3-carboxypyrazin-2-yl)carbamoyl]phenyl]carbonylamino]pyrazine-2-carboxylic acid Openeye Name: 3-[[3,5-bis[(3-carboxypyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazine-2-carboxylic acid CAS Name: 3-[[[3,5-bis[[(3-carboxy-2-pyrazinyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[3,5-bis[(3-carboxypyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazine-2-carboxylic acid Traditional Name: 3-[[3,5-bis[(3-carboxypyrazin-2-yl)carbamoyl]benzoyl]amino]pyrazinoic acid Formula: C24H15N9O9 MolecularWeight: 573.4308

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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

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

InChI

InChI=1S/C24H15N9O9/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)