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

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-cyanophenyl)urea

ID: Reference12059

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319673

Formula: C22H26N6O3

Spectral Data

1,4:3,6-Dianhydro-2-{[(3-cyanophenyl)carbamoyl]amino}-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-2-pyrimidinyl]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
No. of Spectral Trees 1
No. of Spectra 1705
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2022 8:40:23 AM
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Identificators

InChI InChI=1S/C22H26N6O3/c1-22(2,3)17-7-8-24-20(28-17)26-15-11-30-19-16(12-31-18(15)19)27-21(29)25-14-6-4-5-13(9-14)10-23/h4-9,15-16,18-19H,11-12H2,1-3H3,(H,24,26,28)(H2,25,27,29)/t15-,16-,18+,19+/m0/s1
InChI Key KJRSZQTUOBCGOE-RNIPGJKVSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NC(=O)NC4=CC=CC(=C4)C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319673

In Other Databases

ChemSpider 10115961
PubChem 11941642