3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H16N4O2S/c1-6(2)4-5-15-7-8(12-11(15)18)14(3)10(17)13-9(7)16/h6H,4-5H2,1-3H3,(H,12,18)(H,13,16,17)