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

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-8-keto-9-p-phenetyl-7H-purine-6-carboxamide Formula: C21H18BrN5O4 MolecularWeight: 484.30272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H18BrN5O4/c1-3-31-13-7-5-12(6-8-13)27-20-17(25-21(27)29)16(18(23)28)24-19(26-20)14-10-11(22)4-9-15(14)30-2/h4-10H,3H2,1-2H3,(H2,23,28)(H,25,29)