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

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-8-oxidanylidene-9-phenyl-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-8-keto-9-phenyl-7H-purine-6-carboxamide Formula: C19H14BrN5O3 MolecularWeight: 440.25016

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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=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

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