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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC)OC

InChI

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