8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-1,7-dimethyl-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-1,7-dimethyl-xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)C

InChI

InChI=1S/C23H27N5O4/c1-13(2)12-28-21-20(22(29)27(4)23(28)30)26(3)19(25-21)8-15-11-24-10-14-7-17(31-5)18(32-6)9-16(14)15/h7,9-11,13H,8,12H2,1-6H3