1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-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-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(trifluoromethyl)benzamide

ID: Reference12417

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-319168

Formula: C26H26F3N5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-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 2069
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:19:36 PM
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Identificators

InChI InChI=1S/C26H26F3N5O3/c1-34(2)18-9-5-15(6-10-18)19-11-12-30-25(32-19)33-21-14-37-22-20(13-36-23(21)22)31-24(35)16-3-7-17(8-4-16)26(27,28)29/h3-12,20-23H,13-14H2,1-2H3,(H,31,35)(H,30,32,33)/t20-,21-,22+,23+/m0/s1
InChI Key ZCJPHAKIVBGLAP-MYDTUXCISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=C(C=C5)C(F)(F)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-319168

In Other Databases

PubChem 11911838
ChemSpider 10086161