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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-naphthylmethylthio)xanthine Formula: C25H21ClN4O2S MolecularWeight: 476.97784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5Cl

InChI

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