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

Systemtic Name: 8-chloranyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(3,5-dimethylisoxazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(3,5-dimethylisoxazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C13H14ClN5O3 MolecularWeight: 323.73496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C13H14ClN5O3/c1-6-8(7(2)22-16-6)5-19-9-10(15-12(19)14)17(3)13(21)18(4)11(9)20/h5H2,1-4H3