2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(4-acetylphenyl)urea

ID: Reference9015

Other Names: L-Iditol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319674

Formula: C23H29N5O4

Spectral Data

2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 5140
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2019 8:13:57 AM
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Identificators

InChI InChI=1S/C23H29N5O4/c1-13(29)14-5-7-15(8-6-14)25-22(30)27-17-12-32-19-16(11-31-20(17)19)26-21-24-10-9-18(28-21)23(2,3)4/h5-10,16-17,19-20H,11-12H2,1-4H3,(H,24,26,28)(H2,25,27,30)/t16-,17-,19+,20+/m0/s1
InChI Key HVQBOTPPLGASAD-RAUXBKROSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C(C)(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-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319674

In Other Databases

ChemSpider 10115962
PubChem 11941643