2-(1-Adamantyl)-6-{[(5-hydroxy-4-pentyl-4H-1,2,4-triazol-3-yl)thio]methyl}pyrimidin-4-ol

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Systematic / IUPAC Name: 2-(Adamantan-1-yl)-6-{[(5-oxo-4-pentyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4(1H)-pyrimidinone

ID: Reference3565

Other Names: 2-(1-Adamantyl)-6-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Formula: C22H31N5O2S

Spectral Data

2-(1-Adamantyl)-6-{[(5-hydroxy-4-pentyl-4H-1,2,4-triazol-3-yl)thio]methyl}pyrimidin-4-ol 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 Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 1710
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/13/2016 8:25:26 AM
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Identificators

InChI InChI=1S/C22H31N5O2S/c1-2-3-4-5-27-20(29)25-26-21(27)30-13-17-9-18(28)24-19(23-17)22-10-14-6-15(11-22)8-16(7-14)12-22/h9,14-16H,2-8,10-13H2,1H3,(H,25,29)(H,23,24,28)
InChI Key IPHANCVCORUICU-UHFFFAOYSA-N
Canonical SMILES CCCCCN1C(=O)NN=C1SCC2=CC(=O)N=C(N2)C34CC5CC(C3)CC(C5)C4
CAS
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Other Names 2-(1-Adamantyl)-6-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-4-one

In Other Databases

PubChem 2744998
ChemSpider 2026484