(8Z)-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-dione

Systemtic Name: (8Z)-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-dione Openeye Name: (8Z)-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-dione CAS Name: (8Z)-8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-methyl-9H-purin-3-ium-2,6-dione IUPAC Name: (8Z)-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-dione Traditional Name: (8Z)-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-3-methyl-9H-purin-3-ium-2,6-quinone Formula: C13H11N4O4+ MolecularWeight: 287.25084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+]1=C2C(=N/C(=C\3/C=CC(=O)C(=C3)OC)/N2)C(=O)NC1=O

InChI

InChI=1S/C13H10N4O4/c1-17-11-9(12(19)16-13(17)20)14-10(15-11)6-3-4-7(18)8(5-6)21-2/h3-5H,1-2H3,(H,16,19,20)/p+1/b10-6+