1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-(2-furoylamino)-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(3-Cyanophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]furan-2-carboxamide

ID: Reference12613

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-furanylcarbonyl)amino]-;
NAT6-322270

Formula: C22H19N5O4

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(3-cyanophenyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-(2-furoylamino)-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 1360
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/28/2023 8:12:38 AM
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Identificators

InChI InChI=1S/C22H19N5O4/c23-10-13-3-1-4-14(9-13)15-6-7-24-22(26-15)27-17-12-31-19-16(11-30-20(17)19)25-21(28)18-5-2-8-29-18/h1-9,16-17,19-20H,11-12H2,(H,25,28)(H,24,26,27)/t16-,17-,19+,20+/m0/s1
InChI Key DDEMLBVZHRWBRV-RAUXBKROSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)C3=CC=CO3)NC4=NC=CC(=N4)C5=CC=CC(=C5)C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[4-(3-cyanophenyl)-2-pyrimidinyl]amino]-2,5-dideoxy-5-[(2-furanylcarbonyl)amino]-;
NAT6-322270

In Other Databases

PubChem 11941671
ChemSpider 10115990