| SpectraBase Spectrum ID |
5SjQgfPb62T |
| Name |
1,3-Dimethyl-6-phenyl-7-thioxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.146741058 u |
| Formula |
C23H24N4O5S |
| InChI |
InChI=1S/C23H24N4O5S/c1-25-20-17(21(28)26(2)23(25)29)18(27(22(33)24-20)14-9-7-6-8-10-14)13-11-15(30-3)19(32-5)16(12-13)31-4/h6-12,18H,1-5H3,(H,24,33) |
| InChIKey |
NHWUESIDAHPZAG-UHFFFAOYSA-N |
| Molecular Weight |
468.528 g/mol |
| SMILES |
CN1C(N(C2=C(C1=O)C(N(C(N2)=S)C1=CC=CC=C1)C1=CC(=C(C(=C1)OC)OC)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943088 |
![1,3-Dimethyl-6-phenyl-7-thioxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione](/api/spectrum/5SjQgfPb62T/structure.png?h=300&w=458 "1,3-Dimethyl-6-phenyl-7-thioxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione")
