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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1-methyl-3-veratryl-7H-purine-2,6-quinone Formula: C27H27N5O6 MolecularWeight: 517.53318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)N(C1=O)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)N(C1=O)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H27N5O6/c1-31-26(33)24-25(32(27(31)34)14-15-6-7-19(35-2)20(8-15)36-3)30-23(29-24)10-17-13-28-12-16-9-21(37-4)22(38-5)11-18(16)17/h6-9,11-13H,10,14H2,1-5H3,(H,29,30)