2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol

enlarge

Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-prop-2-enylurea

ID: Reference8987

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321316

Formula: C21H25N5O4

Spectral Data

2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 5645
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 11:41:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H25N5O4/c1-3-9-23-21(27)26-17-12-30-18-16(11-29-19(17)18)25-20-22-10-8-15(24-20)13-4-6-14(28-2)7-5-13/h3-8,10,16-19H,1,9,11-12H2,2H3,(H,22,24,25)(H2,23,26,27)/t16-,17-,18+,19+/m0/s1
InChI Key YPGPGKDEEJVWMQ-INDMIFKZSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NCC=C
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321316

In Other Databases

ChemSpider 10115975
PubChem 11941656