3-methyl-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purin-3-ium-2,6-dione

Systemtic Name: 3-methyl-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purin-3-ium-2,6-dione Openeye Name: 3-methyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purin-3-ium-2,6-dione CAS Name: 3-methyl-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-9H-purin-3-ium-2,6-dione IUPAC Name: 3-methyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purin-3-ium-2,6-dione Traditional Name: 8-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-quinone Formula: C12H9N4O3+ MolecularWeight: 257.22486

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC(=C3C=CC(=O)C=C3)N2)C(=O)NC1=O

Isomeric SMILES

C[N+]1=C2C(=NC(=C3C=CC(=O)C=C3)N2)C(=O)NC1=O

InChI

InChI=1S/C12H8N4O3/c1-16-10-8(11(18)15-12(16)19)13-9(14-10)6-2-4-7(17)5-3-6/h2-5H,1H3,(H,15,18,19)/p+1