1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-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-cyclohexylurea

ID: Reference12269

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319194

Formula: C25H34N6O3

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-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 1280
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:01:13 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H34N6O3/c1-31(2)18-10-8-16(9-11-18)19-12-13-26-24(28-19)29-20-14-33-23-21(15-34-22(20)23)30-25(32)27-17-6-4-3-5-7-17/h8-13,17,20-23H,3-7,14-15H2,1-2H3,(H,26,28,29)(H2,27,30,32)/t20-,21-,22+,23+/m0/s1
InChI Key IWZBBXVIMRODOP-MYDTUXCISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5CCCCC5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319194

In Other Databases

ChemSpider 10114116
PubChem 11939797