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

Systemtic Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2OCCOC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2OCCOC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H22N4O4/c1-12-5-7-13(8-6-12)11-22-14-15(19-17(22)26-10-9-25-4)20(2)18(24)21(3)16(14)23/h5-8H,9-11H2,1-4H3