1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-{[4-(dimethylamino)benzoyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(3-Cyanophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(dimethylamino)benzamide

ID: Reference11843

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-322288

Formula: C26H26N6O3

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-{[4-(dimethylamino)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 1836
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2022 2:08:57 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H26N6O3/c1-32(2)19-8-6-17(7-9-19)25(33)29-21-14-34-24-22(15-35-23(21)24)31-26-28-11-10-20(30-26)18-5-3-4-16(12-18)13-27/h3-12,21-24H,14-15H2,1-2H3,(H,29,33)(H,28,30,31)/t21-,22-,23+,24+/m0/s1
InChI Key SAEHIBYGDQRYCM-CJRSTVEYSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CC(=C5)C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-322288

In Other Databases

ChemSpider 10114117
PubChem 11939798