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

Systemtic Name: 3-methyl-7-pentyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H16N4O2S/c1-3-4-5-6-15-7-8(12-11(15)18)14(2)10(17)13-9(7)16/h3-6H2,1-2H3,(H,12,18)(H,13,16,17)