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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1,3-diisobutyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1,3-diisobutyl-7H-purine-2,6-quinone Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-14(2)12-29-23-22(24(31)30(25(29)32)13-15(3)4)27-21(28-23)8-17-11-26-10-16-7-19(33-5)20(34-6)9-18(16)17/h7,9-11,14-15H,8,12-13H2,1-6H3,(H,27,28)