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

ID: Reference12212

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(2-phenoxyacetyl)amino]-;
NAT6-319162

Formula: C26H29N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(phenoxyacetyl)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 2355
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2023 9:03:11 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H29N5O4/c1-31(2)18-10-8-17(9-11-18)20-12-13-27-26(29-20)30-22-15-35-24-21(14-34-25(22)24)28-23(32)16-33-19-6-4-3-5-7-19/h3-13,21-22,24-25H,14-16H2,1-2H3,(H,28,32)(H,27,29,30)/t21-,22-,24+,25+/m0/s1
InChI Key NCECAIUVCPKNTR-ZCAIMPEWSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)COC5=CC=CC=C5
CAS
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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-[(2-phenoxyacetyl)amino]-;
NAT6-319162

In Other Databases

PubChem 11911834
ChemSpider 10086157