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

Systemtic Name: 8-chloranyl-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C16H17ClN4O2/c1-9-5-6-11(10(2)7-9)8-21-12-13(18-15(21)17)19(3)16(23)20(4)14(12)22/h5-7H,8H2,1-4H3