8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2,5-dimethylbenzyl)-1,3-dimethyl-xanthine Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H29N5O2/c1-17-9-10-18(2)21(13-17)15-31-22(16-30-12-11-19-7-5-6-8-20(19)14-30)27-24-23(31)25(32)29(4)26(33)28(24)3/h5-10,13H,11-12,14-16H2,1-4H3