2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-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-(4-acetylphenyl)urea

ID: Reference12626

Other Names: L-Iditol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319202

Formula: C27H30N6O4

Spectral Data

2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1885
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2023 10:51:59 AM
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Identificators

InChI InChI=1S/C27H30N6O4/c1-16(34)17-4-8-19(9-5-17)29-27(35)32-23-15-37-24-22(14-36-25(23)24)31-26-28-13-12-21(30-26)18-6-10-20(11-7-18)33(2)3/h4-13,22-25H,14-15H2,1-3H3,(H,28,30,31)(H2,29,32,35)/t22-,23-,24+,25+/m0/s1
InChI Key ZFWSHBVSULJHCN-CXSMSNRLSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
CAS
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Other Names L-Iditol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319202

In Other Databases

ChemSpider 10114273
PubChem 11939954