2-(5-bromanyl-2-methoxy-phenyl)-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(3,4-dimethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-9-(3,4-dimethylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC)C

InChI

InChI=1S/C21H18BrN5O3/c1-10-4-6-13(8-11(10)2)27-20-17(25-21(27)29)16(18(23)28)24-19(26-20)14-9-12(22)5-7-15(14)30-3/h4-9H,1-3H3,(H2,23,28)(H,25,29)