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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(trifluoromethyl)benzamide

ID: Reference12416

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-321292

Formula: C25H23F3N4O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-5-{[4-(trifluoromethyl)benzoyl]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 2091
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:04:03 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H23F3N4O4/c1-34-17-8-4-14(5-9-17)18-10-11-29-24(31-18)32-20-13-36-21-19(12-35-22(20)21)30-23(33)15-2-6-16(7-3-15)25(26,27)28/h2-11,19-22H,12-13H2,1H3,(H,30,33)(H,29,31,32)/t19-,20-,21+,22+/m0/s1
InChI Key URQSIUQVLIYYBS-FNAHDJPLSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=C(C=C5)C(F)(F)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-321292

In Other Databases

PubChem 11913200
ChemSpider 10087523