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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-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=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5Cl

InChI

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