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

Systemtic Name: 7-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H18N6O3 MolecularWeight: 318.33112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H18N6O3/c1-14(2,3)12-16-8(17-23-12)6-20-7-15-10-9(20)11(21)19(5)13(22)18(10)4/h7H,6H2,1-5H3