| SpectraBase Spectrum ID |
2bTsTT16w9Y |
| Name |
4-[4-Chlorophenyl]-3-phenyl-7-thioxo-1,4,6,7,8,9-hexahydro-5H-pyrazolo[4',3':5,6]pyrido[2,3-D]pyrimidine-5-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.060758964 u |
| Formula |
C20H14ClN5OS |
| InChI |
InChI=1S/C20H14ClN5OS/c21-12-8-6-10(7-9-12)13-14-16(11-4-2-1-3-5-11)25-26-18(14)22-17-15(13)19(27)24-20(28)23-17/h1-9,13H,(H4,22,23,24,25,26,27,28) |
| InChIKey |
IRVSHDPIFFSOIS-UHFFFAOYSA-N |
| Molecular Weight |
407.879 g/mol |
| SMILES |
C12=C(NC3=C(C2C=2C=CC(=CC2)Cl)C(NC(=S)N3)=O)NN=C1C1=CC=CC=C1 |
![4-[4-Chlorophenyl]-3-phenyl-7-thioxo-1,4,6,7,8,9-hexahydro-5H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5-one](/api/spectrum/2bTsTT16w9Y/structure.png?h=300&w=458 "4-[4-Chlorophenyl]-3-phenyl-7-thioxo-1,4,6,7,8,9-hexahydro-5H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5-one")
