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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(dimethylamino)benzamide

ID: Reference10948

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(dimethylamino)benzoyl]amino]-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319645

Formula: C23H31N5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(dimethylamino)benzoyl]amino}-5-{[4-(2-methyl-2-propanyl)-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 1820
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:35:29 AM
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Identificators

InChI InChI=1S/C23H31N5O3/c1-23(2,3)18-10-11-24-22(27-18)26-17-13-31-19-16(12-30-20(17)19)25-21(29)14-6-8-15(9-7-14)28(4)5/h6-11,16-17,19-20H,12-13H2,1-5H3,(H,25,29)(H,24,26,27)/t16-,17-,19+,20+/m0/s1
InChI Key AEIXAGXNXIOOLN-RAUXBKROSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NC(=O)C4=CC=C(C=C4)N(C)C
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(dimethylamino)benzoyl]amino]-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319645

In Other Databases

ChemSpider 10086077
PubChem 11911754