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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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