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

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Systematic / IUPAC Name: (3S,3aR,6S,6aR)-3-N-(Cyclohexylmethyl)-6-N-(4-thiophen-2-ylpyrimidin-2-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine

ID: Reference10517

Other Names: NAT6-319594

Formula: C21H28N4O2S

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylmethyl)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 1938
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/4/2021 11:29:14 AM
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Identificators

InChI InChI=1S/C21H28N4O2S/c1-2-5-14(6-3-1)11-23-16-12-26-20-17(13-27-19(16)20)25-21-22-9-8-15(24-21)18-7-4-10-28-18/h4,7-10,14,16-17,19-20,23H,1-3,5-6,11-13H2,(H,22,24,25)/t16-,17-,19+,20+/m0/s1
InChI Key BTRBQBJILDTZOX-RAUXBKROSA-N
Canonical SMILES C1CCC(CC1)CNC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CS5
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Other Names NAT6-319594

In Other Databases

PubChem 11912908
ChemSpider 10087231