8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(sec-butylthio)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O2S/c1-6-9(4)21-14-15-11-10(18(14)7-8(2)3)12(19)16-13(20)17(11)5/h9H,2,6-7H2,1,3-5H3,(H,16,19,20)