7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C14H17ClN6O3 MolecularWeight: 352.77618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H17ClN6O3/c1-14(2,3)11-16-7(24-18-11)6-21-8-9(17-12(21)15)19(4)13(23)20(5)10(8)22/h6H2,1-5H3