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

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[[4-(2-Methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-ethylurea

ID: Reference11493

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321952

Formula: C20H25N5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(ethylcarbamoyl)amino]-5-{[4-(2-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 2121
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 8:38:45 AM
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Identificators

InChI InChI=1S/C20H25N5O4/c1-3-21-20(26)25-15-11-29-17-14(10-28-18(15)17)24-19-22-9-8-13(23-19)12-6-4-5-7-16(12)27-2/h4-9,14-15,17-18H,3,10-11H2,1-2H3,(H2,21,25,26)(H,22,23,24)/t14-,15-,17+,18+/m0/s1
InChI Key RFCSEXXQOKHOMP-CWLKWCNXSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=CC=C4OC
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[(ethylamino)carbonyl]amino]-5-[[4-(2-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321952

In Other Databases

PubChem 11941662
ChemSpider 10115981