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

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

ID: Reference8957

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321953

Formula: C21H25N5O4

Spectral Data

2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(2-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 1
No. of Spectra 2177
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:52:30 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H25N5O4/c1-3-9-23-21(27)26-16-12-30-18-15(11-29-19(16)18)25-20-22-10-8-14(24-20)13-6-4-5-7-17(13)28-2/h3-8,10,15-16,18-19H,1,9,11-12H2,2H3,(H,22,24,25)(H2,23,26,27)/t15-,16-,18+,19+/m0/s1
InChI Key MBERMFJXRXLJMZ-RNIPGJKVSA-N
Canonical SMILES COC1=CC=CC=C1C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NCC=C
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321953

In Other Databases

ChemSpider 10117330
PubChem 11943011