1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-L-iditol

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Systematic / IUPAC Name: 1-[(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]-3-(3,5-dimethoxyphenyl)urea

ID: Reference12627

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(3,5-dimethoxyphenyl)amino]carbonyl]amino]-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319211

Formula: C27H32N6O5

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-5-({4-[4-(dimethylamino)phenyl]-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 1001
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2023 10:56:23 AM
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Identificators

InChI InChI=1S/C27H32N6O5/c1-33(2)18-7-5-16(6-8-18)21-9-10-28-26(30-21)31-22-14-37-25-23(15-38-24(22)25)32-27(34)29-17-11-19(35-3)13-20(12-17)36-4/h5-13,22-25H,14-15H2,1-4H3,(H,28,30,31)(H2,29,32,34)/t22-,23-,24+,25+/m0/s1
InChI Key QRWQNQNMIRYMPW-CXSMSNRLSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5=CC(=CC(=C5)OC)OC
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(3,5-dimethoxyphenyl)amino]carbonyl]amino]-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319211

In Other Databases

ChemSpider 10114274
PubChem 11939955