2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: 1-[(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]-3-(4-acetylphenyl)urea

ID: Reference8991

Other Names: L-Iditol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321326

Formula: C26H27N5O5

Spectral Data

2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]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 2603
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 12:03:20 PM
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Identificators

InChI InChI=1S/C26H27N5O5/c1-15(32)16-3-7-18(8-4-16)28-26(33)31-22-14-36-23-21(13-35-24(22)23)30-25-27-12-11-20(29-25)17-5-9-19(34-2)10-6-17/h3-12,21-24H,13-14H2,1-2H3,(H,27,29,30)(H2,28,31,33)/t21-,22-,23+,24+/m0/s1
InChI Key QKUOPPCKNIULIM-CJRSTVEYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)OC
CAS
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Other Names L-Iditol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321326

In Other Databases

ChemSpider 10115979
PubChem 11941660