(8Z)-8-(2-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9H-purin-2-one

Systemtic Name: (8Z)-8-(2-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9H-purin-2-one Openeye Name: (8Z)-8-(2-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9H-purin-2-one CAS Name: (8Z)-8-(2-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-9H-purin-2-one IUPAC Name: (8Z)-8-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purin-2-one Traditional Name: (8Z)-8-(4-keto-2-methoxy-cyclohexa-2,5-dien-1-ylidene)-9H-purin-2-one Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C=CC1=C2NC3=NC(=O)N=CC3=N2

Isomeric SMILES

COC\1=CC(=O)C=C/C1=C/2\NC3=NC(=O)N=CC3=N2

InChI

InChI=1S/C12H8N4O3/c1-19-9-4-6(17)2-3-7(9)10-14-8-5-13-12(18)16-11(8)15-10/h2-5H,1H3,(H,15,16,18)/b10-7+