| SpectraBase Spectrum ID |
1Z9g8RrRqsC |
| Name |
Pyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione, 7-[(4-chlorophenyl)imino]-6,7-dihydro-1,3-dimethyl-6-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.099252473 u |
| Formula |
C20H16ClN5O2 |
| InChI |
InChI=1S/C20H16ClN5O2/c1-24-17-16(18(27)25(2)20(24)28)12-26(15-6-4-3-5-7-15)19(23-17)22-14-10-8-13(21)9-11-14/h3-12H,1-2H3/b22-19+ |
| InChIKey |
PAWPOXTUNILCQM-ZBJSNUHESA-N |
| Molecular Weight |
393.834 g/mol |
| SMILES |
C=12C(C(=O)N(C(N2C)=O)C)=CN(\C(N1)=N\C1=CC=C(C=C1)Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901569 |
![Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-chlorophenyl)imino]-6,7-dihydro-1,3-dimethyl-6-phenyl-](/api/spectrum/1Z9g8RrRqsC/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-chlorophenyl)imino]-6,7-dihydro-1,3-dimethyl-6-phenyl-")
