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Molecule record

2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid

C29H28F4N4O4

572.56 g/mol

Loading structure

Molecular properties

Formula
C29H28F4N4O4
Molar mass
572.56 g·mol−1
Exact mass
572.2047 Da
16
PubChem CID
45138674

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Aryl halide
Carboxylic acid
Ether
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H09Y5WO1F
  • 805-689-9
  • 917389-32-3
  • AIC-246
  • AIC246
  • DTXCID90161174
  • DTXSID40238683
  • J05AX18
Show all 24 synonyms
  • LETERMOVIR [JAN]
  • LETERMOVIR [MI]
  • LETERMOVIR [USAN]
  • LETERMOVIR [WHO-DD]
  • Letermovir
  • Letermovir (Standard)
  • Letermovir [INN]
  • Letermovir [USAN:INN]
  • Letermovir(AIC-246)?
  • MFCD22572725
  • MK-8228
  • Prevymis
  • Prevymis (TN)
  • RefChem:57199
  • UNII-1H09Y5WO1F
  • letermovirum

Structure identifiers

Canonical SMILES
COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
Isomeric SMILES
COC1=C(C=C(C=C1)C(F)(F)F)N2[C@H](C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O
InChI
InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1
InChIKey
FWYSMLBETOMXAG-QHCPKHFHSA-N
PubChem CID
45138674

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record