1,4:3,6-Dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}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]-1,3-benzodioxole-5-carboxamide

ID: Reference12602

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319174

Formula: C26H27N5O5

Spectral Data

1,4:3,6-Dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-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 1874
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:42:05 AM
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Identificators

InChI InChI=1S/C26H27N5O5/c1-31(2)17-6-3-15(4-7-17)18-9-10-27-26(29-18)30-20-13-34-23-19(12-33-24(20)23)28-25(32)16-5-8-21-22(11-16)36-14-35-21/h3-11,19-20,23-24H,12-14H2,1-2H3,(H,28,32)(H,27,29,30)/t19-,20-,23+,24+/m0/s1
InChI Key KGJSNXCAXNQXRN-UWXQAFAOSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC6=C(C=C5)OCO6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319174

In Other Databases

ChemSpider 10086049
PubChem 11911726