1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-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-ethylurea

ID: Reference9016

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321315

Formula: C20H25N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1698
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2019 8:14:41 AM
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Identificators

InChI InChI=1S/C20H25N5O4/c1-3-21-20(26)25-16-11-29-17-15(10-28-18(16)17)24-19-22-9-8-14(23-19)12-4-6-13(27-2)7-5-12/h4-9,15-18H,3,10-11H2,1-2H3,(H2,21,25,26)(H,22,23,24)/t15-,16-,17+,18+/m0/s1
InChI Key HJVQMOVTHLSQJD-WNRNVDISSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=C(C=C4)OC
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321315

In Other Databases

ChemSpider 10115974
PubChem 11941655