7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-1,3-dimethyl-xanthine Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3