Products 1246815-68-8

CAS 1246815-68-8 appears in our catalog under these names: Monohydroxy Etravirine, Etravirine Impurity 1. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Monohydroxy Etravirine
Chemat Brand
  • size: on request
  • Variants: 1
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Etravirine Impurity 1
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3-(hydroxymethyl)-5-methylbenzonitrile (CAS 1246815-68-8) is a chemical compound with the molecular formula C20H15BrN6O2 and a molecular weight of 451.3 g/mol. IUPAC name: 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3-(hydroxymethyl)-5-methylbenzonitrile. InChIKey: PSEOCSSSLMRMFI-UHFFFAOYSA-N.

Identity
Molecular formulaC20H15BrN6O2
Molecular weight451.3 g/mol
IUPAC name4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3-(hydroxymethyl)-5-methylbenzonitrile
InChIKeyPSEOCSSSLMRMFI-UHFFFAOYSA-N
SMILESCC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)CO)C#N

Computed by PubChem (NCBI)

Synonyms: Monohydroxy Etravirine, Etravirine metabolite M3, Monomethylhydroxy etravirine
Isomers (same molecular formula)
4-[6-amino-5-bromo-2-(4-cyanophenyl)imino-1-hydroxypyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile C20H15BrN6O2