9-phenyl-6-sulfanylidene-3,7-dihydropurine-2,8-dione

Systemtic Name: 9-phenyl-6-sulfanylidene-3,7-dihydropurine-2,8-dione Openeye Name: 9-phenyl-6-thioxo-3,7-dihydropurine-2,8-dione CAS Name: 9-phenyl-6-sulfanylidene-3,7-dihydropurine-2,8-dione IUPAC Name: 9-phenyl-6-sulfanylidene-3,7-dihydropurine-2,8-dione Traditional Name: 9-phenyl-6-thioxo-3,7-dihydropurine-2,8-quinone Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=S)NC(=O)N3)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=S)NC(=O)N3)NC2=O

InChI

InChI=1S/C11H8N4O2S/c16-10-13-8-7(9(18)14-10)12-11(17)15(8)6-4-2-1-3-5-6/h1-5H,(H,12,17)(H2,13,14,16,18)