5,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate

Systemtic Name: 5,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate Openeye Name: 5,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate CAS Name: 5,7-bis(1-imidazolyl)-1,4-dihydroquinoxaline-2,3-dione hydrate IUPAC Name: 5,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione hydrate Traditional Name: 5,7-di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-quinone hydrate Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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