7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-16-8-9(13-12(16)19)15(2)11(18)14-10(8)17/h3-7H2,1-2H3,(H,13,19)(H,14,17,18)