| SpectraBase Spectrum ID |
KqJoZPTDy3R |
| Name |
Pyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.160103065 u |
| Formula |
C21H20FN5O2 |
| InChI |
InChI=1S/C21H20FN5O2/c1-13-4-10-16(11-5-13)27-12-17-18(25(2)21(29)26(3)19(17)28)24-20(27)23-15-8-6-14(22)7-9-15/h4-11H,12H2,1-3H3,(H,23,24) |
| InChIKey |
MTRHXMVZOYTLKM-UHFFFAOYSA-N |
| Molecular Weight |
393.422 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)CN(C(=N1)NC1=CC=C(C=C1)F)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933953 |
![Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)-](/api/spectrum/KqJoZPTDy3R/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)-")
