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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-xanthine Formula: C24H24ClN5O2 MolecularWeight: 449.93266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-27-22-21(23(31)28(2)24(27)32)30(13-16-6-5-9-19(25)12-16)20(26-22)15-29-11-10-17-7-3-4-8-18(17)14-29/h3-9,12H,10-11,13-15H2,1-2H3