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

Systemtic Name: 7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H20N4O2S/c1-3-4-5-6-7-8-17-9-10(14-13(17)20)16(2)12(19)15-11(9)18/h3-8H2,1-2H3,(H,14,20)(H,15,18,19)