| SpectraBase Spectrum ID |
D3rvycD1jcr |
| Name |
6-Amino-3,3-dimethyl-9-nitro-8-(4-nitrophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-A]pyrimidine-7-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.138953080 u |
| Formula |
C17H18N6O4 |
| InChI |
InChI=1S/C17H18N6O4/c1-17(2)8-20-16-14(23(26)27)13(12(7-18)15(19)21(16)9-17)10-3-5-11(6-4-10)22(24)25/h3-6,13,20H,8-9,19H2,1-2H3 |
| InChIKey |
WVKAGMSZQHFOOE-UHFFFAOYSA-N |
| Molecular Weight |
370.369 g/mol |
| SMILES |
C12=C(C(C=3C=CC(N(=O)=O)=CC3)C(=C(N1CC(CN2)(C)C)N)C#N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90427 |
![6-Amino-3,3-dimethyl-9-nitro-8-(4-nitrophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile](/api/spectrum/D3rvycD1jcr/structure.png?h=300&w=458 "6-Amino-3,3-dimethyl-9-nitro-8-(4-nitrophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile")
