| SpectraBase Spectrum ID |
J1MLjyt0jDc |
| Name |
2-[(N-Methylindolyl)methyl]-4-methyl-5-(ethoxycarbonyl)-6-[(cyanoethyl)mercapto]-pyrimiodine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N4O2S |
| InChI |
InChI=1S/C21H22N4O2S/c1-4-27-21(26)19-14(2)23-18(24-20(19)28-11-7-10-22)12-15-13-25(3)17-9-6-5-8-16(15)17/h5-6,8-9,13H,4,7,11-12H2,1-3H3 |
| InChIKey |
BBSPJTBRWGJEAN-UHFFFAOYSA-N |
| Molecular Weight |
394.493 g/mol |
| SMILES |
c1(c(c(nc(n1)Cc1c[n](C)c2c1cccc2)C)C(=O)OCC)SCCC#N |
| SPLASH |
splash10-03di-0009000000-bdcce249650c16c70905 |
| Source of Spectrum |
AH-139-286-14 |
| Wiley ID |
1695964 |
![2-[(N-Methylindolyl)methyl]-4-methyl-5-(ethoxycarbonyl)-6-[(cyanoethyl)mercapto]-pyrimiodine](/api/spectrum/J1MLjyt0jDc/structure.png?h=300&w=458 "2-[(N-Methylindolyl)methyl]-4-methyl-5-(ethoxycarbonyl)-6-[(cyanoethyl)mercapto]-pyrimiodine")
