6-[[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]methylidene]amino]hexanoic acid

Systemtic Name: 6-[[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]methylidene]amino]hexanoic acid Openeye Name: 6-[[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)amino]methylene]amino]hexanoic acid CAS Name: 6-[[amino-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]amino]methylidene]amino]hexanoic acid IUPAC Name: 6-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]hexanoic acid Traditional Name: 6-[[amino-[(3,5-diamino-6-chloro-pyrazinoyl)amino]methylene]amino]hexanoic acid Formula: C12H18ClN7O3 MolecularWeight: 343.76942

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CCN=C(N)NC(=O)C1=C(N=C(C(=N1)Cl)N)N

Isomeric SMILES

C(CCC(=O)O)CCN=C(N)NC(=O)C1=C(N=C(C(=N1)Cl)N)N

InChI

InChI=1S/C12H18ClN7O3/c13-8-10(15)19-9(14)7(18-8)11(23)20-12(16)17-5-3-1-2-4-6(21)22/h1-5H2,(H,21,22)(H4,14,15,19)(H3,16,17,20,23)