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

Systemtic Name: 1,3-dimethyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-octyl-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-octyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H24N4O2S/c1-4-5-6-7-8-9-10-19-11-12(16-14(19)22)17(2)15(21)18(3)13(11)20/h4-10H2,1-3H3,(H,16,22)