2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-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-prop-2-enylurea

ID: Reference8995

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-324286

Formula: C20H22FN5O3

Spectral Data

2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-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 4646
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 12:09:06 PM
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Identificators

InChI InChI=1S/C20H22FN5O3/c1-2-7-23-20(27)26-16-11-29-17-15(10-28-18(16)17)25-19-22-8-6-14(24-19)12-4-3-5-13(21)9-12/h2-6,8-9,15-18H,1,7,10-11H2,(H,22,24,25)(H2,23,26,27)/t15-,16-,17+,18+/m0/s1
InChI Key YIFHFKJPWYIHEP-WNRNVDISSA-N
Canonical SMILES C=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-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-324286

In Other Databases

ChemSpider 10087681
PubChem 11913358