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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C=N1)OC)OC)CC3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2C=N1)OC)OC)CC3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

InChI

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