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

Systemtic Name: 2-(3-bromophenyl)-9-(4-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-bromophenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-bromophenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-bromophenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-bromophenyl)-8-keto-9-(4-methoxyphenyl)-7H-purine-6-carboxamide Formula: C19H14BrN5O3 MolecularWeight: 440.25016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN5O3/c1-28-13-7-5-12(6-8-13)25-18-15(23-19(25)27)14(16(21)26)22-17(24-18)10-3-2-4-11(20)9-10/h2-9H,1H3,(H2,21,26)(H,23,27)