| SpectraBase Spectrum ID |
Jice4qPPXS9 |
| Name |
4-[[1-oxo-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl]amino]benzoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21N5O3S |
| InChI |
InChI=1S/C22H21N5O3S/c1-13(2)27-17-7-5-4-6-16(17)19-20(27)24-22(26-25-19)31-12-18(28)23-15-10-8-14(9-11-15)21(29)30-3/h4-11,13H,12H2,1-3H3,(H,23,28) |
| InChIKey |
ATEUHXLEZSEITB-UHFFFAOYSA-N |
| Molecular Weight |
435.502 g/mol |
| SMILES |
N(C(CSc1nc2[n](c3c(c2nn1)cccc3)C(C)C)=O)c1ccc(cc1)C(OC)=O |
| SPLASH |
splash10-000i-4890000000-96eed153472e0b395988 |
| Synonyms |
4-[[2-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]benzoic acid methyl ester
Methyl 4-[2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]benzoate
Methyl 4-[[2-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzoate
Methyl 4-[[2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzoate |
| Wiley ID |
1445587 |
![4-[[1-oxo-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl]amino]benzoic acid methyl ester](/api/spectrum/Jice4qPPXS9/structure.png?h=300&w=458 "4-[[1-oxo-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl]amino]benzoic acid methyl ester")
