8-(3-methoxy-5-methyl-phenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-methoxy-5-methyl-phenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-methoxy-5-methyl-phenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxy-5-methylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-methoxy-5-methylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-methoxy-5-methyl-phenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC(=CC(=C4)C)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC(=CC(=C4)C)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H24N4O4/c1-14-6-8-16(9-7-14)13-27-19-20(25(3)23(29)26(4)21(19)28)24-22(27)31-18-11-15(2)10-17(12-18)30-5/h6-12H,13H2,1-5H3