9-(3-chloranyl-2-fluoranyl-phenyl)-2-(3-hydroxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3-chloranyl-2-fluoranyl-phenyl)-2-(3-hydroxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3-chloro-2-fluoro-phenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-chloro-2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3-chloro-2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3-chloro-2-fluoro-phenyl)-2-(3-hydroxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C18H11ClFN5O3 MolecularWeight: 399.763043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClFN5O3/c19-10-5-2-6-11(12(10)20)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28)