2-(3-bromophenyl)-9-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(3-bromophenyl)-9-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-bromophenyl)-8-keto-9-p-phenetyl-7H-purine-6-carboxamide Formula: C20H16BrN5O3 MolecularWeight: 454.27674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5O3/c1-2-29-14-8-6-13(7-9-14)26-19-16(24-20(26)28)15(17(22)27)23-18(25-19)11-4-3-5-12(21)10-11/h3-10H,2H2,1H3,(H2,22,27)(H,24,28)