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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]xanthine Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H18N6O3S/c1-4-24-13-14(22(2)18(26)23(3)16(13)25)19-17(24)28-10-12-20-21-15(27-12)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3