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

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(2-chlorobenzyl)thio]-1,3-dimethyl-xanthine Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O2S/c1-24-18-17(19(27)25(2)21(24)28)26(12-14-8-4-3-5-9-14)20(23-18)29-13-15-10-6-7-11-16(15)22/h3-11H,12-13H2,1-2H3