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

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(3,4-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H18BrN5O5 MolecularWeight: 500.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)OC)OC)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)OC)OC)C(=O)N

InChI

InChI=1S/C21H18BrN5O5/c1-30-13-6-4-10(22)8-12(13)19-24-16(18(23)28)17-20(26-19)27(21(29)25-17)11-5-7-14(31-2)15(9-11)32-3/h4-9H,1-3H3,(H2,23,28)(H,25,29)