8-[(8-bromanyl-7-oxidanyl-6-oxidanylidene-2H-isoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(8-bromanyl-7-oxidanyl-6-oxidanylidene-2H-isoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(8-bromo-7-hydroxy-6-oxo-2H-isoquinolin-4-yl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(8-bromo-7-hydroxy-6-oxo-2H-isoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(8-bromo-7-hydroxy-6-oxo-2H-isoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(8-bromo-7-hydroxy-6-keto-2H-isoquinolin-4-yl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CNC=C4C3=CC(=O)C(=C4Br)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CNC=C4C3=CC(=O)C(=C4Br)O

InChI

InChI=1S/C20H20BrN5O4/c1-9(2)8-26-18-16(19(29)25(3)20(26)30)23-14(24-18)4-10-6-22-7-12-11(10)5-13(27)17(28)15(12)21/h5-7,9,22,28H,4,8H2,1-3H3,(H,23,24)