1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[[4-[4-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-cyanophenyl)carbamate

ID: Reference12347

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-, 5-[(3-cyanophenyl)carbamate];
NAT6-318390

Formula: C26H26N6O4

Spectral Data

1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-D-glucitol 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 2438
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2023 11:47:46 AM
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Identificators

InChI InChI=1S/C26H26N6O4/c1-32(2)19-8-6-17(7-9-19)20-10-11-28-25(30-20)31-21-14-34-24-22(15-35-23(21)24)36-26(33)29-18-5-3-4-16(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 WEKSHODAEVKCQU-OLKYXYMISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4OC(=O)NC5=CC=CC(=C5)C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-, 5-[(3-cyanophenyl)carbamate];
NAT6-318390

In Other Databases

ChemSpider 10086118
PubChem 11911795