![2,5,6-Trimethyl-3-([(E)-(3-nitrophenyl)methylidene]amino)thieno[2,3-d]pyrimidin-4(3H)-one](/api/spectrum/9kUZygBcdDP/structure.png?h=300&w=458 "2,5,6-Trimethyl-3-([(E)-(3-nitrophenyl)methylidene]amino)thieno[2,3-d]pyrimidin-4(3H)-one")
| SpectraBase Compound ID | ILybBfQrbVh |
|---|---|
| InChI | InChI=1S/C16H14N4O3S/c1-9-10(2)24-15-14(9)16(21)19(11(3)18-15)17-8-12-5-4-6-13(7-12)20(22)23/h4-8H,1-3H3/b17-8+ |
| InChIKey | XHKQJNBDAANCNU-CAOOACKPSA-N |
| Mol Weight | 342.37 g/mol |
| Molecular Formula | C16H14N4O3S |
| Exact Mass | 342.078661 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9kUZygBcdDP |
|---|---|
| Name | 2,5,6-Trimethyl-3-([(E)-(3-nitrophenyl)methylidene]amino)thieno[2,3-d]pyrimidin-4(3H)-one |
| CAS Registry Number | 331845-51-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H14N4O3S |
| InChI | InChI=1S/C16H14N4O3S/c1-9-10(2)24-15-14(9)16(21)19(11(3)18-15)17-8-12-5-4-6-13(7-12)20(22)23/h4-8H,1-3H3/b17-8+ |
| InChIKey | XHKQJNBDAANCNU-CAOOACKPSA-N |
| Molecular Weight | 342.373 g/mol |
| SMILES | c1c(cccc1N(=O)=O)\C=N\N1C(=Nc2c(C1=O)c(c(s2)C)C)C |
| SPLASH | splash10-0006-9800000000-41390bb3f81a3e3f4b2f |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2,5,6-trimethyl-3-[(E)-(3-nitrobenzylidene)amino]thieno[2,3-d]pyrimidin-4-one 2,5,6-trimethyl-3-[(E)-(3-nitrophenyl)methyleneamino]thieno[2,3-d]pyrimidin-4-one 2,5,6-trimethyl-3-[(E)-(3-nitrophenyl)methylideneamino]-4-thieno[2,3-d]pyrimidinone 2,5,6-trimethyl-3-[(E)-(3-nitrophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one Thieno[2,3-d]pyrimidin-4(3H)-one, 2,5,6-trimethyl-3-(3-nitrobenzylidenamino)- |
| Wiley ID | 1426193 |