1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-{[(4-methylphenyl)sulfonyl]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]-4-methylbenzenesulfonamide

ID: Reference12565

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-319186

Formula: C25H29N5O4S

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-{[(4-methylphenyl)sulfonyl]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 2134
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2023 10:44:31 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H29N5O4S/c1-16-4-10-19(11-5-16)35(31,32)29-22-15-34-23-21(14-33-24(22)23)28-25-26-13-12-20(27-25)17-6-8-18(9-7-17)30(2)3/h4-13,21-24,29H,14-15H2,1-3H3,(H,26,27,28)/t21-,22-,23+,24+/m0/s1
InChI Key VLJQDPDLMFTZST-CJRSTVEYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
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-[[(4-methylphenyl)sulfonyl]amino]-;
NAT6-319186

In Other Databases

PubChem 26763465
ChemSpider 21388503