8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H21ClN4O2S MolecularWeight: 476.97784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21ClN4O2S/c1-28-22-21(23(31)29(2)25(28)32)30(14-17-11-7-10-16-8-3-5-12-19(16)17)24(27-22)33-15-18-9-4-6-13-20(18)26/h3-13H,14-15H2,1-2H3