1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)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-benzylurea

ID: Reference8990

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-319665

Formula: C22H29N5O3

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)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 FAIMS
No. of Spectral Trees 1
No. of Spectra 160
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 11:47:28 AM
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Identificators

InChI InChI=1S/C22H29N5O3/c1-22(2,3)17-9-10-23-20(27-17)25-15-12-29-19-16(13-30-18(15)19)26-21(28)24-11-14-7-5-4-6-8-14/h4-10,15-16,18-19H,11-13H2,1-3H3,(H,23,25,27)(H2,24,26,28)/t15-,16-,18+,19+/m0/s1
InChI Key GWBKUSIMMDMBGF-RNIPGJKVSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NC(=O)NCC4=CC=CC=C4
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-5-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT6-319665

In Other Databases

PubChem 11941639
ChemSpider 10115958