1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(dimethylamino)benzoyl]amino}-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]-4-(dimethylamino)benzamide

ID: Reference12595

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(dimethylamino)benzoyl]amino]-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319173

Formula: C27H32N6O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(dimethylamino)benzoyl]amino}-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1760
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:14:03 AM
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Identificators

InChI InChI=1S/C27H32N6O3/c1-32(2)19-9-5-17(6-10-19)21-13-14-28-27(30-21)31-23-16-36-24-22(15-35-25(23)24)29-26(34)18-7-11-20(12-8-18)33(3)4/h5-14,22-25H,15-16H2,1-4H3,(H,29,34)(H,28,30,31)/t22-,23-,24+,25+/m0/s1
InChI Key DIRATGWTNFUXIT-CXSMSNRLSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=C(C=C5)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-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319173

In Other Databases

PubChem 11911724
ChemSpider 10086047