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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]thiophene-2-carboxamide

ID: Reference10929

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[(2-thienylcarbonyl)amino]-;
NAT6-321290

Formula: C22H22N4O4S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-5-[(2-thienylcarbonyl)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 2
No. of Spectra 2926
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2021 9:49:46 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H22N4O4S/c1-28-14-6-4-13(5-7-14)15-8-9-23-22(25-15)26-17-12-30-19-16(11-29-20(17)19)24-21(27)18-3-2-10-31-18/h2-10,16-17,19-20H,11-12H2,1H3,(H,24,27)(H,23,25,26)/t16-,17-,19+,20+/m0/s1
InChI Key FWZFXYSMMABBHF-RAUXBKROSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=CS5
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-thienylcarbonyl)amino]-;
NAT6-321290

In Other Databases

ChemSpider 10087144
PubChem 11912821