2-[[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonyliminomethylamino]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonyliminomethylamino]carbamoylamino]ethanoic acid Openeye Name: 2-[[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)iminomethylamino]carbamoylamino]acetic acid CAS Name: 2-[[[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]iminomethylhydrazo]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)iminomethylamino]carbamoylamino]acetic acid Traditional Name: 2-[[(3,5-diamino-6-chloro-pyrazinoyl)iminomethylamino]carbamoylamino]acetic acid Formula: C9H11ClN8O4 MolecularWeight: 330.68784

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)NC(=O)NNC=NC(=O)C1=C(N=C(C(=N1)Cl)N)N

Isomeric SMILES

C(C(=O)O)NC(=O)NNC=NC(=O)C1=C(N=C(C(=N1)Cl)N)N

InChI

InChI=1S/C9H11ClN8O4/c10-5-7(12)17-6(11)4(16-5)8(21)14-2-15-18-9(22)13-1-3(19)20/h2H,1H2,(H,19,20)(H4,11,12,17)(H2,13,18,22)(H,14,15,21)