5-O-[(3-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-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-acetylphenyl)carbamate

ID: Reference12045

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-, 5-[(3-acetylphenyl)carbamate];
NAT6-318389

Formula: C27H29N5O5

Spectral Data

5-O-[(3-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-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 2789
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2022 9:40:45 AM
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Identificators

InChI InChI=1S/C27H29N5O5/c1-16(33)18-5-4-6-19(13-18)29-27(34)37-23-15-36-24-22(14-35-25(23)24)31-26-28-12-11-21(30-26)17-7-9-20(10-8-17)32(2)3/h4-13,22-25H,14-15H2,1-3H3,(H,29,34)(H,28,30,31)/t22-,23+,24+,25+/m0/s1
InChI Key GRDXKHQITZTGEA-ZYQDXHPFSA-N
Canonical SMILES CC(=O)C1=CC(=CC=C1)NC(=O)OC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
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-acetylphenyl)carbamate];
NAT6-318389

In Other Databases

ChemSpider 10085986
PubChem 11911663