8-[(5,6-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(5,6-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(5,6-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(5,6-dimethoxy-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(5,6-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(5,6-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C(=CN=C3)C=CC(=C4OC)OC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C(=CN=C3)C=CC(=C4OC)OC

InChI

InChI=1S/C22H25N5O4/c1-12(2)11-27-20-18(21(28)26(3)22(27)29)24-16(25-20)8-14-10-23-9-13-6-7-15(30-4)19(31-5)17(13)14/h6-7,9-10,12H,8,11H2,1-5H3,(H,24,25)