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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-xanthine Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5Cl

InChI

InChI=1S/C23H22ClN5O2/c1-26-20-19(21(30)27(2)23(26)31)29(14-17-9-5-6-10-18(17)24)22(25-20)28-12-11-15-7-3-4-8-16(15)13-28/h3-10H,11-14H2,1-2H3