1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(8-quinolinylsulfonyl)amino]-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-[4-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]quinoline-8-sulfonamide

ID: Reference12039

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(8-quinolinylsulfonyl)amino]-;
NAT6-319178

Formula: C27H28N6O4S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(8-quinolinylsulfonyl)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 2139
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:03:44 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H28N6O4S/c1-33(2)19-10-8-17(9-11-19)20-12-14-29-27(30-20)31-21-15-36-26-22(16-37-25(21)26)32-38(34,35)23-7-3-5-18-6-4-13-28-24(18)23/h3-14,21-22,25-26,32H,15-16H2,1-2H3,(H,29,30,31)/t21-,22-,25+,26+/m0/s1
InChI Key ILRJINKYFGFRSK-CNXCYTMISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NS(=O)(=O)C5=CC=CC6=C5N=CC=C6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(8-quinolinylsulfonyl)amino]-;
NAT6-319178

In Other Databases

ChemSpider 10086050
PubChem 11911727