1,3-dimethyl-8-(phenylmethylsulfanyl)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenylmethylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenylmethylthio)-7-propylpurine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(benzylthio)-1,3-dimethyl-7-propyl-xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O2S/c1-4-10-21-13-14(19(2)17(23)20(3)15(13)22)18-16(21)24-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3