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

ID: Reference8955

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-321961

Formula: C25H24F3N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-methoxyphenyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2855
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:37:56 AM
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Identificators

InChI InChI=1S/C25H24F3N5O4/c1-35-20-8-3-2-7-16(20)17-9-10-29-23(31-17)32-18-12-36-22-19(13-37-21(18)22)33-24(34)30-15-6-4-5-14(11-15)25(26,27)28/h2-11,18-19,21-22H,12-13H2,1H3,(H,29,31,32)(H2,30,33,34)/t18-,19-,21+,22+/m0/s1
InChI Key SOBDWVOCCISOTJ-SEIRJHJZSA-N
Canonical SMILES COC1=CC=CC=C1C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5=CC=CC(=C5)C(F)(F)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-321961

In Other Databases

PubChem 11943013
ChemSpider 10117332