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

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

ID: Reference12612

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-320254

Formula: C18H21N5O4

Spectral Data

2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-2,5-dideoxy-5-{[4-(2-furyl)-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
No. of Spectral Trees 1
No. of Spectra 1462
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/28/2023 7:41:26 AM
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Identificators

InChI InChI=1S/C18H21N5O4/c1-2-6-20-18(24)23-13-10-27-15-12(9-26-16(13)15)22-17-19-7-5-11(21-17)14-4-3-8-25-14/h2-5,7-8,12-13,15-16H,1,6,9-10H2,(H,19,21,22)(H2,20,23,24)/t12-,13-,15+,16+/m0/s1
InChI Key WQRFGJPNDBPHRY-WMHQRMGPSA-N
Canonical SMILES C=CCNC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=CO4
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-320254

In Other Databases

ChemSpider 10115967
PubChem 11941648