6,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione dihydrate dihydrochloride

Systemtic Name: 6,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione dihydrate dihydrochloride Openeye Name: 6,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione dihydrate dihydrochloride CAS Name: 6,7-bis(1-imidazolyl)-1,4-dihydroquinoxaline-2,3-dione dihydrate dihydrochloride IUPAC Name: 6,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione dihydrate dihydrochloride Traditional Name: 6,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-quinone dihydrate dihydrochloride Formula: C14H16Cl2N6O4 MolecularWeight: 403.22064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)N4C=CN=C4.O.O.Cl.Cl

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)N4C=CN=C4.O.O.Cl.Cl

InChI

InChI=1S/C14H10N6O2.2ClH.2H2O/c21-13-14(22)18-10-6-12(20-4-2-16-8-20)11(5-9(10)17-13)19-3-1-15-7-19;;;;/h1-8H,(H,17,21)(H,18,22);2*1H;2*1H2