1,4:3,6-Dianhydro-2-deoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-O-[(4-methylphenyl)carbamoyl]-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[[4-[4-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methylphenyl)carbamate

ID: Reference12245

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-, 5-[(4-methylphenyl)carbamate];
NAT6-318385

Formula: C26H29N5O4

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-O-[(4-methylphenyl)carbamoyl]-D-glucitol 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 2595
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:20:00 PM
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Identificators

InChI InChI=1S/C26H29N5O4/c1-16-4-8-18(9-5-16)28-26(32)35-22-15-34-23-21(14-33-24(22)23)30-25-27-13-12-20(29-25)17-6-10-19(11-7-17)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 OBGQBWMSBUSRNL-OLKYXYMISA-N
Canonical SMILES CC1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-, 5-[(4-methylphenyl)carbamate];
NAT6-318385

In Other Databases

ChemSpider 10085970
PubChem 11911647