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

Systemtic Name: 8-[(6-bromanylisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(6-bromo-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6-bromo-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(6-bromoisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(6-bromo-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=C(C=CC4=CN=C3)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=C(C=CC4=CN=C3)Br

InChI

InChI=1S/C20H20BrN5O2/c1-11(2)10-26-18-17(19(27)25(3)20(26)28)23-16(24-18)6-13-9-22-8-12-4-5-14(21)7-15(12)13/h4-5,7-9,11H,6,10H2,1-3H3,(H,23,24)