8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione chloride

Systemtic Name: 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione chloride Openeye Name: 3-isobutyl-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-dione chloride CAS Name: 8-[(6-methoxy-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione chloride IUPAC Name: 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione chloride Traditional Name: 3-isobutyl-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-quinone chloride Formula: C21H23ClN5O3- MolecularWeight: 428.89202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=C(C=CC4=CN=C3)OC.[Cl-]

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=C(C=CC4=CN=C3)OC.[Cl-]

InChI

InChI=1S/C21H23N5O3.ClH/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14;/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24);1H/p-1