1,3-diethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

Systemtic Name: 1,3-diethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Openeye Name: 1,3-diethyl-8-thioxo-7,9-dihydropurine-2,6-dione CAS Name: 1,3-diethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione IUPAC Name: 1,3-diethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Traditional Name: 1,3-diethyl-8-thioxo-7,9-dihydropurine-2,6-quinone Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=S)N2

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=S)N2

InChI

InChI=1S/C9H12N4O2S/c1-3-12-6-5(10-8(16)11-6)7(14)13(4-2)9(12)15/h3-4H2,1-2H3,(H2,10,11,16)