2-(5-bromanyl-2-methoxy-phenyl)-9-(4-tert-butylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(4-tert-butylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(4-tert-butylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-tert-butylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-tert-butylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-9-(4-tert-butylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C23H22BrN5O3/c1-23(2,3)12-5-8-14(9-6-12)29-21-18(27-22(29)31)17(19(25)30)26-20(28-21)15-11-13(24)7-10-16(15)32-4/h5-11H,1-4H3,(H2,25,30)(H,27,31)