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

ID: Reference10536

Other Names: NAT6-319554

Formula: C22H20F3N5O3S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-thienyl)-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
No. of Spectral Trees 2
No. of Spectra 3792
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/11/2021 11:47:44 AM
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Identificators

InChI InChI=1S/C22H20F3N5O3S/c23-22(24,25)12-3-1-4-13(9-12)27-21(31)30-16-11-33-18-15(10-32-19(16)18)29-20-26-7-6-14(28-20)17-5-2-8-34-17/h1-9,15-16,18-19H,10-11H2,(H,26,28,29)(H2,27,30,31)/t15-,16-,18+,19+/m0/s1
InChI Key ZWAIQBCJCBVWJS-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=CS5
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Other Names NAT6-319554

In Other Databases

ChemSpider 10116164
PubChem 11941845