| SpectraBase Spectrum ID |
23DeUqVHrGl |
| Name |
Pyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione, 6-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.132805072 u |
| Formula |
C16H18N4O4 |
| InChI |
InChI=1S/C16H18N4O4/c1-18-14-11(15(21)19(2)16(18)22)7-20(8-17-14)6-10-3-4-12-13(5-10)24-9-23-12/h3-5,17H,6-9H2,1-2H3 |
| InChIKey |
IQPNHGXWHUTQLQ-UHFFFAOYSA-N |
| Molecular Weight |
330.344 g/mol |
| SMILES |
C12=C(C(N(C(N2C)=O)C)=O)CN(CN1)CC=1C=CC2=C(C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895307 |
![Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 6-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1,3-dimethyl-](/api/spectrum/23DeUqVHrGl/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 6-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1,3-dimethyl-")
