1,4:3,6-Dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(Furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-benzodioxole-5-carboxamide

ID: Reference12514

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320236

Formula: C22H20N4O6

Spectral Data

1,4:3,6-Dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-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 1568
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 8:24:53 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H20N4O6/c27-21(12-3-4-17-18(8-12)32-11-31-17)24-14-9-29-20-15(10-30-19(14)20)26-22-23-6-5-13(25-22)16-2-1-7-28-16/h1-8,14-15,19-20H,9-11H2,(H,24,27)(H,23,25,26)/t14-,15-,19+,20+/m0/s1
InChI Key OLDZIBPAFWXROX-IQGAEYHTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)C3=CC4=C(C=C3)OCO4)NC5=NC=CC(=N5)C6=CC=CO6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320236

In Other Databases

PubChem 11912972
ChemSpider 10087295