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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1-methyl-3-(2-methylallyl)-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1-methyl-3-(2-methylallyl)-7H-purine-2,6-quinone Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-12(2)11-27-20-19(21(28)26(3)22(27)29)24-18(25-20)7-14-10-23-9-13-6-16(30-4)17(31-5)8-15(13)14/h6,8-10H,1,7,11H2,2-5H3,(H,24,25)