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

Systemtic Name: 1,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]xanthine Formula: C16H14N6O3 MolecularWeight: 338.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C16H14N6O3/c1-20-14-12(15(23)21(2)16(20)24)22(9-17-14)8-11-18-13(19-25-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3