8-[(3-chlorophenyl)methyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(3-chlorophenyl)methyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(3-chlorophenyl)methyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(3-chlorophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(3-chlorophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-chlorobenzyl)-1,3,7-trimethyl-xanthine Formula: C15H15ClN4O2 MolecularWeight: 318.7582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H15ClN4O2/c1-18-11(8-9-5-4-6-10(16)7-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3