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

Systemtic Name: 7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H16N4O2S/c1-4-5-6-15-7-8(12-10(15)18)13(2)11(17)14(3)9(7)16/h4-6H2,1-3H3,(H,12,18)