1,4:3,6-Dianhydro-2-(benzoylamino)-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}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]benzamide

ID: Reference10952

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-(benzoylamino)-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319145

Formula: C25H27N5O3

Spectral Data

1,4:3,6-Dianhydro-2-(benzoylamino)-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-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
No. of Spectral Trees 1
No. of Spectra 2449
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:39:57 AM
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Identificators

InChI InChI=1S/C25H27N5O3/c1-30(2)18-10-8-16(9-11-18)19-12-13-26-25(28-19)29-21-15-33-22-20(14-32-23(21)22)27-24(31)17-6-4-3-5-7-17/h3-13,20-23H,14-15H2,1-2H3,(H,27,31)(H,26,28,29)/t20-,21-,22+,23+/m0/s1
InChI Key XHNXEKHIBUVLIM-MYDTUXCISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-(benzoylamino)-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319145

In Other Databases

ChemSpider 10086039
PubChem 11911716