1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(ethylcarbamoyl)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-ethylurea

ID: Reference12604

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[[(ethylamino)carbonyl]amino]-;
NAT6-319191

Formula: C21H28N6O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-5-[(ethylcarbamoyl)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 1111
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:46:28 AM
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Identificators

InChI InChI=1S/C21H28N6O3/c1-4-22-21(28)26-17-12-30-18-16(11-29-19(17)18)25-20-23-10-9-15(24-20)13-5-7-14(8-6-13)27(2)3/h5-10,16-19H,4,11-12H2,1-3H3,(H2,22,26,28)(H,23,24,25)/t16-,17-,18+,19+/m0/s1
InChI Key PVQYWDSSWDCGMO-INDMIFKZSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=C(C=C4)N(C)C
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-5-[[(ethylamino)carbonyl]amino]-;
NAT6-319191

In Other Databases

PubChem 11939796
ChemSpider 10114115