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

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Systematic / IUPAC Name: 1-[(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]-3-cyclohexylurea

ID: Reference12605

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321318

Formula: C24H31N5O4

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1593
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:51:34 AM
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Identificators

InChI InChI=1S/C24H31N5O4/c1-31-17-9-7-15(8-10-17)18-11-12-25-23(27-18)28-19-13-32-22-20(14-33-21(19)22)29-24(30)26-16-5-3-2-4-6-16/h7-12,16,19-22H,2-6,13-14H2,1H3,(H,25,27,28)(H2,26,29,30)/t19-,20-,21+,22+/m0/s1
InChI Key QLATZWXWUYZFIQ-FNAHDJPLSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5CCCCC5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321318

In Other Databases

ChemSpider 10115977
PubChem 11941658