| SpectraBase Spectrum ID |
66lusMssi4z |
| Name |
2-Mercapto-9-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/c1-9-5-6-13-12(7-9)11-4-2-3-10-8-17-16(20)19-14(10)15(11)18-13/h5-8,18H,2-4H2,1H3,(H,17,19,20) |
| InChIKey |
ITYYOQXAVSWYCM-UHFFFAOYSA-N |
| Molecular Weight |
281.377 g/mol |
| SMILES |
[nH]1c2ccc(cc2c2c1-c1nc(ncc1CCC2)S)C |
| SPLASH |
splash10-001i-0090000000-097b132b644663183eb2 |
| Source of Spectrum |
F2-47-237-7a |
| Wiley ID |
1706123 |
![2-Mercapto-9-methyl-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole](/api/spectrum/66lusMssi4z/structure.png?h=300&w=458 "2-Mercapto-9-methyl-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole")
