![Pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-5(2H)-one , 1,3,4,7,8,9,10,11-octahydro-2-methyl-](/api/spectrum/4zOuSBamfD1/structure.png?h=300&w=458 "Pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-5(2H)-one , 1,3,4,7,8,9,10,11-octahydro-2-methyl-")
| SpectraBase Compound ID | 3AEQ5c6hERD |
|---|---|
| InChI | InChI=1S/C15H19N3OS/c1-17-8-6-10-11(9-17)20-14-13(10)15(19)18-7-4-2-3-5-12(18)16-14/h2-9H2,1H3 |
| InChIKey | LVJVLPPIOMWUPO-UHFFFAOYSA-N |
| Mol Weight | 289.4 g/mol |
| Molecular Formula | C15H19N3OS |
| Exact Mass | 289.124883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4zOuSBamfD1 |
|---|---|
| Name | Pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-5(2H)-one , 1,3,4,7,8,9,10,11-octahydro-2-methyl- |
| CAS Registry Number | 57394-71-5 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19N3OS |
| InChI | InChI=1S/C15H19N3OS/c1-17-8-6-10-11(9-17)20-14-13(10)15(19)18-7-4-2-3-5-12(18)16-14/h2-9H2,1H3 |
| InChIKey | LVJVLPPIOMWUPO-UHFFFAOYSA-N |
| Molecular Weight | 289.397 g/mol |
| SMILES | c12c(N=C3N(C2=O)CCCCC3)sc2c1CCN(C)C2 |
| SPLASH | splash10-000j-0090000000-072c56549c437a3def79 |
| Source of Spectrum | Y-15-874-2 |
| Synonyms | 2-methyl-1,3,4,7,8,9,10,11-octahydropyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-5(2H)-one 9-Methyl-2,3,4,5,8,9,10,11-octahydro(4',3':4,5)thieno(2,3-d)-azepino(1,2-a)-1H-12H-pyrimidin-12-one Pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-5(2H)-one , 1,3,4,7,8,9,10,11-octahydro-2-methyl- |
| Wiley ID | 1292576 |