1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-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-benzylurea

ID: Reference12614

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-324287

Formula: C24H24FN5O3

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-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
No. of Spectral Trees 1
No. of Spectra 1982
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/28/2023 8:16:02 AM
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Identificators

InChI InChI=1S/C24H24FN5O3/c25-17-8-4-7-16(11-17)18-9-10-26-23(28-18)29-19-13-32-22-20(14-33-21(19)22)30-24(31)27-12-15-5-2-1-3-6-15/h1-11,19-22H,12-14H2,(H,26,28,29)(H2,27,30,31)/t19-,20-,21+,22+/m0/s1
InChI Key PCEWQCYDXUANGQ-FNAHDJPLSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)NCC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC(=CC=C5)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-324287

In Other Databases

PubChem 11913359
ChemSpider 10087682