1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(2-methyl-2-propanyl)-2-pyrimidinyl]amino}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate

ID: Reference10816

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-318497

Formula: C21H32N4O4

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(2-methyl-2-propanyl)-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 1830
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2021 8:52:56 AM
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Identificators

InChI InChI=1S/C21H32N4O4/c1-21(2,3)16-9-10-22-19(25-16)24-14-11-27-18-15(12-28-17(14)18)29-20(26)23-13-7-5-4-6-8-13/h9-10,13-15,17-18H,4-8,11-12H2,1-3H3,(H,23,26)(H,22,24,25)/t14-,15+,17+,18+/m0/s1
InChI Key XFWGDSXOIQWPAH-BURFUSLBSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3OC(=O)NC4CCCCC4
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-318497

In Other Databases

ChemSpider 10086799
PubChem 11912476