3-methyl-7-octyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-3-methyl-7-octyl-xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-21-13-14(18-17(21)24-12(2)3)20(4)16(23)19-15(13)22/h12H,5-11H2,1-4H3,(H,19,22,23)