1,3-dimethyl-7-(phenylmethyl)-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]xanthine Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NN=C(O3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NN=C(O3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H20N6O3S/c1-27-19-18(21(30)28(2)23(27)31)29(13-15-9-5-3-6-10-15)22(24-19)33-14-17-25-26-20(32-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3