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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-[4-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methoxyacetamide

ID: Reference10573

Other Names: NAT6-319158

Formula: C21H27N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(methoxyacetyl)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 2240
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/18/2021 9:55:56 AM
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Identificators

InChI InChI=1S/C21H27N5O4/c1-26(2)14-6-4-13(5-7-14)15-8-9-22-21(24-15)25-17-11-30-19-16(10-29-20(17)19)23-18(27)12-28-3/h4-9,16-17,19-20H,10-12H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17-,19+,20+/m0/s1
InChI Key DHOPDNJOSIPNRM-RAUXBKROSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)COC
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Other Names NAT6-319158

In Other Databases

PubChem 11939784
ChemSpider 10114103