3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-(1-naphthylmethylsulfanyl)-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(1-naphthalenylmethylthio)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H24N4O2S/c1-3-4-7-13-26-18-19(25(2)21(28)24-20(18)27)23-22(26)29-14-16-11-8-10-15-9-5-6-12-17(15)16/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,24,27,28)