3-methyl-7-pentyl-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(phenethylthio)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H24N4O2S/c1-3-4-8-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)