| SpectraBase Spectrum ID |
7uynvuFSHsp |
| Name |
6-(4-Bromophenyl)-3,8-dioxo-1,3,4,8-tetrahydro-2H-pyrimido[2,1-c][1,2,4]triazine-7-carbonitrile Hydrochloride Salt |
| Alternate Name(s) |
6-(4-bromophenyl)-3,8-dioxo-2,3,4,8-tetrahydro-1H-pyrimido[2,1-c][1,2,4]triazine-7-carbonitrile dihydrochloride |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10BrCl2N5O2 |
| InChI |
InChI=1S/C13H8BrN5O2.2ClH/c14-8-3-1-7(2-4-8)11-9(5-15)12(21)16-13-18-17-10(20)6-19(11)13;;/h1-4H,6H2,(H,17,20)(H,16,18,21);2*1H |
| InChIKey |
KTZGZDCUSVXDGH-UHFFFAOYSA-N |
| Molecular Weight |
419.066 g/mol |
| SMILES |
Cl.N1NC(CN2C1=NC(=O)C(C#N)=C2c1ccc(cc1)Br)=O.Cl |
| SPLASH |
splash10-0a4i-9003000000-e7387297f360f02aa00b |
| Source of Spectrum |
E1-60-529-9c |
| Wiley ID |
1743562 |
![6-(4-Bromophenyl)-3,8-dioxo-1,3,4,8-tetrahydro-2H-pyrimido[2,1-c][1,2,4]triazine-7-carbonitrile Hydrochloride Salt](/api/spectrum/7uynvuFSHsp/structure.png?h=300&w=458 "6-(4-Bromophenyl)-3,8-dioxo-1,3,4,8-tetrahydro-2H-pyrimido[2,1-c][1,2,4]triazine-7-carbonitrile Hydrochloride Salt")
