| SpectraBase Spectrum ID |
BePTauHFgvE |
| Name |
2-Mercapto-11-methyl-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 |
C16H15N3S |
| InChI |
InChI=1S/C16H15N3S/c1-9-4-2-6-11-12-7-3-5-10-8-17-16(20)19-14(10)15(12)18-13(9)11/h2,4,6,8,18H,3,5,7H2,1H3,(H,17,19,20) |
| InChIKey |
VQSCYSRWBROVRR-UHFFFAOYSA-N |
| Molecular Weight |
281.377 g/mol |
| SMILES |
[nH]1c2c(cccc2c2c1-c1nc(ncc1CCC2)S)C |
| SPLASH |
splash10-001i-0090000000-097b132b644663183eb2 |
| Source of Spectrum |
F2-47-237-7c |
| Wiley ID |
1706121 |
![2-Mercapto-11-methyl-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole](/api/spectrum/BePTauHFgvE/structure.png?h=300&w=458 "2-Mercapto-11-methyl-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole")
