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

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

ID: Reference8992

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324285

Formula: C19H22FN5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-5-{[4-(3-fluorophenyl)-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4764
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 12:04:28 PM
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Identificators

InChI InChI=1S/C19H22FN5O3/c1-2-21-19(26)25-15-10-28-16-14(9-27-17(15)16)24-18-22-7-6-13(23-18)11-4-3-5-12(20)8-11/h3-8,14-17H,2,9-10H2,1H3,(H2,21,25,26)(H,22,23,24)/t14-,15-,16+,17+/m0/s1
InChI Key QNVDSKYCWPJSHX-MWDXBVQZSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC(=CC=C4)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324285

In Other Databases

PubChem 11913357
ChemSpider 10087680