8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-sulfanylidene-7,9-dihydro-3H-purin-6-one

Systemtic Name: 8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-sulfanylidene-7,9-dihydro-3H-purin-6-one Openeye Name: 8-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-thioxo-7,9-dihydro-3H-purin-6-one CAS Name: 8-(4-oxo-1-cyclohexa-2,5-dienylidene)-2-sulfanylidene-7,9-dihydro-3H-purin-6-one IUPAC Name: 8-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-sulfanylidene-7,9-dihydro-3H-purin-6-one Traditional Name: 8-(4-ketocyclohexa-2,5-dien-1-ylidene)-2-thioxo-7,9-dihydro-3H-purin-6-one Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC3=C(N2)NC(=S)NC3=O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC3=C(N2)NC(=S)NC3=O

InChI

InChI=1S/C11H8N4O2S/c16-6-3-1-5(2-4-6)8-12-7-9(13-8)14-11(18)15-10(7)17/h1-4,12H,(H3,13,14,15,17,18)