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

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

ID: Reference8988

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-321317

Formula: C25H27N5O4

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-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 3591
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 11:44:27 AM
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Identificators

InChI InChI=1S/C25H27N5O4/c1-32-18-9-7-17(8-10-18)19-11-12-26-24(28-19)29-20-14-33-23-21(15-34-22(20)23)30-25(31)27-13-16-5-3-2-4-6-16/h2-12,20-23H,13-15H2,1H3,(H,26,28,29)(H2,27,30,31)/t20-,21-,22+,23+/m0/s1
InChI Key QIHXHWLMJHKVAF-MYDTUXCISA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NCC5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-321317

In Other Databases

PubChem 11941657
ChemSpider 10115976