4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
4183
Reference
4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile Structure
Systematic / IUPAC Name: 4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
ID: Reference4183
Other Names:
Formula: C13H10N8S
Spectral Data
4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/14/2016 8:47:28 AM |
Identificators
| InChI | InChI=1S/C13H10N8S/c1-21-11(8-2-4-16-5-3-8)19-20-13(21)22-12-17-7-9(6-14)10(15)18-12/h2-5,7H,1H3,(H2,15,17,18) |
| InChI Key | FYMGFSYQURDTFJ-UHFFFAOYSA-N |
| Canonical SMILES | CN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=NC=C3 |
| CAS | |
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| Other Names |