| SpectraBase Spectrum ID |
6j1g0vq8jKA |
| Name |
2-Mercapto-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13N3S |
| InChI |
InChI=1S/C15H13N3S/c19-15-16-8-9-4-3-6-11-10-5-1-2-7-12(10)17-14(11)13(9)18-15/h1-2,5,7-8,17H,3-4,6H2,(H,16,18,19) |
| InChIKey |
HCUZYCOIDNBQKE-UHFFFAOYSA-N |
| Molecular Weight |
267.350 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1-c1nc(ncc1CCC2)S |
| SPLASH |
splash10-014i-0090000000-4b606954896077384996 |
| Source of Spectrum |
F2-47-237-7d |
| Wiley ID |
1706120 |
![2-Mercapto-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole](/api/spectrum/6j1g0vq8jKA/structure.png?h=300&w=458 "2-Mercapto-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole")
