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

Systemtic Name: 1,3-dimethyl-7-nonyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-nonyl-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-nonyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-nonyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-nonyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H26N4O2S/c1-4-5-6-7-8-9-10-11-20-12-13(17-15(20)23)18(2)16(22)19(3)14(12)21/h4-11H2,1-3H3,(H,17,23)