8-(chloromethyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-3,7-dimethyl-xanthine Formula: C8H9ClN4O2 MolecularWeight: 228.63566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CCl

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CCl

InChI

InChI=1S/C8H9ClN4O2/c1-12-4(3-9)10-6-5(12)7(14)11-8(15)13(6)2/h3H2,1-2H3,(H,11,14,15)