Systematic / IUPAC Name: (3S,3aR,6S,6aR)-6-N-[4-(4-Methoxyphenyl)pyrimidin-2-yl]-3-N-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
ID: Reference10931
Other Names:
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[(2-pyridinylmethyl)amino]-;
NAT6-321370
Formula: C23H25N5O3
1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-5-[(2-pyridinylmethyl)amino]-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 2475 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/8/2021 9:53:52 AM |
InChI | InChI=1S/C23H25N5O3/c1-29-17-7-5-15(6-8-17)18-9-11-25-23(27-18)28-20-14-31-21-19(13-30-22(20)21)26-12-16-4-2-3-10-24-16/h2-11,19-22,26H,12-14H2,1H3,(H,25,27,28)/t19-,20-,21+,22+/m0/s1 |
InChI Key | FJWNSGKDWIRUJH-FNAHDJPLSA-N |
Canonical SMILES | COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NCC5=CC=CC=N5 |
CAS | |
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Other Names |
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[(2-pyridinylmethyl)amino]-; NAT6-321370 |