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

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

ID: Reference9131

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-[2-(dimethylamino)-2-oxoethyl]-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-318853

Formula: C21H26N4O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-[2-(dimethylamino)-2-oxoethyl]-2-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-D-glucitol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 5439
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 11:52:14 AM
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Identificators

InChI InChI=1S/C21H26N4O5/c1-25(2)18(26)12-28-17-11-30-19-16(10-29-20(17)19)24-21-22-9-8-15(23-21)13-4-6-14(27-3)7-5-13/h4-9,16-17,19-20H,10-12H2,1-3H3,(H,22,23,24)/t16-,17+,19+,20+/m0/s1
InChI Key ORNKKRXKCNJYAG-ONCXSQPRSA-N
Canonical SMILES CN(C)C(=O)COC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=C(C=C4)OC
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-[2-(dimethylamino)-2-oxoethyl]-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-318853

In Other Databases

PubChem 25390790
ChemSpider 21388499