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

Systemtic Name: 3-methyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 3-methyl-7-octyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O2S/c1-3-4-5-6-7-8-9-18-10-11(15-14(18)21)17(2)13(20)16-12(10)19/h3-9H2,1-2H3,(H,15,21)(H,16,19,20)