8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-xanthine Formula: C24H25N5O2 MolecularWeight: 415.4876

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-26-22-21(23(30)27(2)24(26)31)29(14-17-8-4-3-5-9-17)20(25-22)16-28-13-12-18-10-6-7-11-19(18)15-28/h3-11H,12-16H2,1-2H3