1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol
10572
Reference
1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol Structure
Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[[4-(Furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-cyclohexylurea
ID: Reference10572
Other Names: NAT6-320256
Formula: C21H27N5O4
Spectral Data
1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-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 | 3867 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/18/2021 9:54:59 AM |
Identificators
| InChI | InChI=1S/C21H27N5O4/c27-21(23-13-5-2-1-3-6-13)26-16-12-30-18-15(11-29-19(16)18)25-20-22-9-8-14(24-20)17-7-4-10-28-17/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 | XHVJFCYGJVAUPH-RNIPGJKVSA-N |
| Canonical SMILES | C1CCC(CC1)NC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT6-320256 |