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

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

ID: Reference12048

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-320255

Formula: C22H23N5O4

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-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 1556
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2022 9:58:48 AM
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Identificators

InChI InChI=1S/C22H23N5O4/c28-22(24-11-14-5-2-1-3-6-14)27-17-13-31-19-16(12-30-20(17)19)26-21-23-9-8-15(25-21)18-7-4-10-29-18/h1-10,16-17,19-20H,11-13H2,(H,23,25,26)(H2,24,27,28)/t16-,17-,19+,20+/m0/s1
InChI Key PPZYFNDZHHJHFV-RAUXBKROSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)NCC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=CO5
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-320255

In Other Databases

PubChem 11941649
ChemSpider 10115968