1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(methoxyacetyl)amino]-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(3-Cyanophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methoxyacetamide

ID: Reference8993

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT6-322273

Formula: C20H21N5O4

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(methoxyacetyl)amino]-L-iditol 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 3799
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 12:07:07 PM
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Identificators

InChI InChI=1S/C20H21N5O4/c1-27-11-17(26)23-15-9-28-19-16(10-29-18(15)19)25-20-22-6-5-14(24-20)13-4-2-3-12(7-13)8-21/h2-7,15-16,18-19H,9-11H2,1H3,(H,23,26)(H,22,24,25)/t15-,16-,18+,19+/m0/s1
InChI Key AOJQERQBEUXRMZ-RNIPGJKVSA-N
Canonical SMILES COCC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=CC(=C4)C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT6-322273

In Other Databases

PubChem 11941672
ChemSpider 10115991