(2E)-8-azanyl-2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)purin-6-one

Systemtic Name: (2E)-8-azanyl-2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)purin-6-one Openeye Name: (2E)-8-amino-2-(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)purin-6-one CAS Name: (2E)-8-amino-2-(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-purinone IUPAC Name: (2E)-8-amino-2-(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)purin-6-one Traditional Name: (2E)-8-amino-2-(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)purin-6-one Formula: C11H5N7O6 MolecularWeight: 331.2007

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=C2NC(=O)C3=NC(=NC3=N2)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C\1=C(C=C(C(=O)/C1=C/2\NC(=O)C3=NC(=NC3=N2)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H5N7O6/c12-11-13-6-9(16-11)14-8(15-10(6)20)4-1-3(17(21)22)2-5(7(4)19)18(23)24/h1-2H,(H,15,20)(H2,12,14,16)/b8-4-