1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-thienyl)-2-pyrimidinyl]amino}-L-iditol
10535
Reference
1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-thienyl)-2-pyrimidinyl]amino}-L-iditol Structure
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-benzylurea
ID: Reference10535
Other Names: NAT6-319547
Formula: C22H23N5O3S
Spectral Data
1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2382 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/11/2021 11:14:02 AM |
Identificators
| InChI | InChI=1S/C22H23N5O3S/c28-22(24-11-14-5-2-1-3-6-14)27-17-13-30-19-16(12-29-20(17)19)26-21-23-9-8-15(25-21)18-7-4-10-31-18/h1-10,16-17,19-20H,11-13H2,(H,23,25,26)(H2,24,27,28)/t16-,17-,19+,20+/m0/s1 |
| InChI Key | CTBDXTXSNRGWJA-RAUXBKROSA-N |
| Canonical SMILES | C1C(C2C(O1)C(CO2)NC(=O)NCC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT6-319547 |