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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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