1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-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-ethylurea

ID: Reference8989

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-5-[[(ethylamino)carbonyl]amino]-;
NAT6-319663

Formula: C17H27N5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-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 2
No. of Spectra 2451
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 11:46:11 AM
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Identificators

InChI InChI=1S/C17H27N5O3/c1-5-18-16(23)21-11-9-25-13-10(8-24-14(11)13)20-15-19-7-6-12(22-15)17(2,3)4/h6-7,10-11,13-14H,5,8-9H2,1-4H3,(H2,18,21,23)(H,19,20,22)/t10-,11-,13+,14+/m0/s1
InChI Key OKRJTBBOJHCSOY-CDGCEXEKSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C(C)(C)C
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-[[(ethylamino)carbonyl]amino]-;
NAT6-319663

In Other Databases

PubChem 11941637
ChemSpider 10115956