1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(2-thienylcarbonyl)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]thiophene-2-carboxamide

ID: Reference12047

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(2-thienylcarbonyl)amino]-;
NAT6-319166

Formula: C23H25N5O3S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-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 1
No. of Spectra 2632
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2022 9:52:53 AM
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Identificators

InChI InChI=1S/C23H25N5O3S/c1-28(2)15-7-5-14(6-8-15)16-9-10-24-23(26-16)27-18-13-31-20-17(12-30-21(18)20)25-22(29)19-4-3-11-32-19/h3-11,17-18,20-21H,12-13H2,1-2H3,(H,25,29)(H,24,26,27)/t17-,18-,20+,21+/m0/s1
InChI Key KKZKULGYMKMMEB-FMWKFLBASA-N
Canonical SMILES CN(C)C1=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-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[(2-thienylcarbonyl)amino]-;
NAT6-319166

In Other Databases

ChemSpider 10086045
PubChem 11911722