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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methyl-3-oxidanyl-propyl)-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-(3-hydroxy-2-methyl-propyl)-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-3-(3-hydroxy-2-methylpropyl)-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-3-(3-hydroxy-2-methylpropyl)-1-methyl-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-(3-hydroxy-2-methyl-propyl)-1-methyl-7H-purine-2,6-quinone Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-12(11-28)10-27-20-19(21(29)26(2)22(27)30)24-18(25-20)6-14-9-23-8-13-5-16(31-3)17(32-4)7-15(13)14/h5,7-9,12,28H,6,10-11H2,1-4H3,(H,24,25)