1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-furyl)-2-pyrimidinyl]amino}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[[4-(Furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12040

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-320262

Formula: C22H20F3N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-furyl)-2-pyrimidinyl]amino}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1315
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:04:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H20F3N5O4/c23-22(24,25)12-3-1-4-13(9-12)27-21(31)30-16-11-34-18-15(10-33-19(16)18)29-20-26-7-6-14(28-20)17-5-2-8-32-17/h1-9,15-16,18-19H,10-11H2,(H,26,28,29)(H2,27,30,31)/t15-,16-,18+,19+/m0/s1
InChI Key ZOUMLWONJPQIET-RNIPGJKVSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC4=NC=CC(=N4)C5=CC=CO5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-320262

In Other Databases

ChemSpider 10115970
PubChem 11941651