| Properties | Image |
|---|
| MNX_ID | MNXM155119 |
 |
| reference | keggD:D10619 |
| formula | C20H22ClF3N8O3S |
| global charge | 0 |
| mol weight | 546.963 |
| InChIKey | RCHQNUQAHJNRBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H |
| SMILES | CNC(=O)C1=CC=C(NC2=NC=C(C(F)(F)F)C(NCC3=C(N(C)S(C)(=O)=O)N=CC=N3)=N2)C=C1.Cl |
MNX internals
| InChI (mnx) | InChI=1/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H |
 |
| SMILES (mnx) | [CH3:1][NH:24][C:18]([C:12]1=[CH:5][CH:7]=[C:13]([NH:29][C:19]2=[N:28][CH:10]=[C:14]([C:20]([F:21])([F:22])[F:23])[C:16](=[N:27][CH2:11][C:15]3=[N:25][CH:8]=[CH:9][N:26]=[C:17]3[N:31]([CH3:2])[S:35]([CH3:3])(=[O:33])=[O:34])[NH:30]2)[CH:6]=[CH:4]1)=[O:32].[ClH:36] |
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