API reference

Etravirine

CAS number
269055-15-4
Molecular formula
C20H15BrN6O
Molecular weight
435.3 g/mol
Etravirine — 2D structure
2D structure (PubChem)

About this molecule

Etravirine is an aminopyrimidine that consists of 2,6-diaminopyrimidine bearing a bromo substituent at position 5, a 4-cyano-2,6-dimethylphenoxy substituent at position 4 and having a 4-cyanophenyl substituent attached to the 2-amino group. NNRTI of HIV-1, binds directly to RT and blocks RNA-dependent and DNA-dependent DNA polymerase activities. It has a role as an antiviral agent and a HIV-1 reverse transcriptase inhibitor. It is an aromatic ether, an organobromine compound, an aminopyrimidine and a dinitrile.

Source: ChEBI, via PubChem.

Identifiers

IUPAC name
4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
InChIKey
PYGWGZALEOIKDF-UHFFFAOYSA-N
SMILES
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
Other CAS numbers recorded
1142096-06-7 · 394729-17-0
PubChem CID
193962

Also known as

Etravirine · Intelence · TMC-125 · TMC125 · TMC 125 · Etravirina · TMC125 cpd · etravirinum

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