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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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