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

ID: Reference12580

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(4-methylbenzoyl)amino]-;
NAT6-319167

Formula: C26H29N5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(4-methylbenzoyl)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 1063
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2023 2:47:51 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H29N5O3/c1-16-4-6-18(7-5-16)25(32)28-21-14-33-24-22(15-34-23(21)24)30-26-27-13-12-20(29-26)17-8-10-19(11-9-17)31(2)3/h4-13,21-24H,14-15H2,1-3H3,(H,28,32)(H,27,29,30)/t21-,22-,23+,24+/m0/s1
InChI Key IZNCXNYJQZHNAQ-CJRSTVEYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(4-methylbenzoyl)amino]-;
NAT6-319167

In Other Databases

PubChem 11911723
ChemSpider 10086046