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

Systemtic Name: 1,3-dimethyl-7-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H16N6O3/c1-21-14-13(16(24)22(2)17(21)25)23(10-18-14)9-8-12-19-15(26-20-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3