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

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[(4-Thiophen-2-ylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-cyclohexylurea

ID: Reference10817

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-(2-thienyl)-2-pyrimidinyl]amino]-;
NAT6-319548

Formula: C21H27N5O3S

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-thienyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1535
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2021 10:10:22 AM
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Identificators

InChI InChI=1S/C21H27N5O3S/c27-21(23-13-5-2-1-3-6-13)26-16-12-29-18-15(11-28-19(16)18)25-20-22-9-8-14(24-20)17-7-4-10-30-17/h4,7-10,13,15-16,18-19H,1-3,5-6,11-12H2,(H,22,24,25)(H2,23,26,27)/t15-,16-,18+,19+/m0/s1
InChI Key XTGSPAFAMKAQCD-RNIPGJKVSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CS5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-(2-thienyl)-2-pyrimidinyl]amino]-;
NAT6-319548

In Other Databases

PubChem 11941843
ChemSpider 10116162