8-[(6-bromanylisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purine-7-carboxylic acid

Systemtic Name: 8-[(6-bromanylisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purine-7-carboxylic acid Openeye Name: 8-[(6-bromo-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-2,6-dioxo-purine-7-carboxylic acid CAS Name: 8-[(6-bromo-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinecarboxylic acid IUPAC Name: 8-[(6-bromoisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-2,6-dioxopurine-7-carboxylic acid Traditional Name: 8-[(6-bromo-4-isoquinolyl)methyl]-3-isobutyl-2,6-diketo-1-methyl-purine-7-carboxylic acid Formula: C21H20BrN5O4 MolecularWeight: 486.3186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O4/c1-11(2)10-26-18-17(19(28)25(3)20(26)29)27(21(30)31)16(24-18)6-13-9-23-8-12-4-5-14(22)7-15(12)13/h4-5,7-9,11H,6,10H2,1-3H3,(H,30,31)