2-(3-bromanyl-4-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(3-bromanyl-4-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-bromo-4-methoxy-phenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-bromo-4-methoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-bromo-4-methoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-9-(4-fluorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H13BrFN5O3 MolecularWeight: 458.240623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrFN5O3/c1-29-13-7-2-9(8-12(13)20)17-23-14(16(22)27)15-18(25-17)26(19(28)24-15)11-5-3-10(21)4-6-11/h2-8H,1H3,(H2,22,27)(H,24,28)