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

enlarge

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]-2-cyanobenzenesulfonamide

ID: Reference12549

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319188

Formula: C25H26N6O4S

Spectral Data

1,4:3,6-Dianhydro-2-{[(2-cyanophenyl)sulfonyl]amino}-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2197
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2023 1:24:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H26N6O4S/c1-31(2)18-9-7-16(8-10-18)19-11-12-27-25(28-19)29-20-14-34-24-21(15-35-23(20)24)30-36(32,33)22-6-4-3-5-17(22)13-26/h3-12,20-21,23-24,30H,14-15H2,1-2H3,(H,27,28,29)/t20-,21-,23+,24+/m0/s1
InChI Key LOOFYTUJWWDWRP-NEUULRRLSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NS(=O)(=O)C5=CC=CC=C5C#N
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(2-cyanophenyl)sulfonyl]amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319188

In Other Databases

PubChem 11911729
ChemSpider 10086052