1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15)