| SpectraBase Spectrum ID |
J4VCQWqIeZa |
| Name |
2-{[(2Z)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]amino}quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.091274612 u |
| Formula |
C13H11N5O2 |
| InChI |
InChI=1S/C13H11N5O2/c1-7-6-10(19)16-12(14-7)18-13-15-9-5-3-2-4-8(9)11(20)17-13/h2-6H,1H3,(H3,14,15,16,17,18,19,20) |
| InChIKey |
CUVCNFMKDNMMAQ-UHFFFAOYSA-N |
| SMILES |
C=1(NC(=O)C=2C(N1)=CC=CC2)\N=C/1NC(=O)C=C(N1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845503 |
![2-{[(2Z)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]amino}quinazolin-4(3H)-one](/api/spectrum/J4VCQWqIeZa/structure.png?h=300&w=458 "2-{[(2Z)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]amino}quinazolin-4(3H)-one")
