| Properties | Image |
|---|
| MNX_ID | MNXM152255 |
 |
| reference | keggD:D09865 |
| formula | C23H22ClN5O3S |
| global charge | 0 |
| mol weight | 483.981 |
| InChIKey | IKQFRXPMBGQJGE-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H21N5O3S.ClH/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21;/h1-6,11,13H,7-10,12,14H2,(H,24,32);1H |
| SMILES | Cl.S=C(NCC1=CC=C2OCOC2=C1)N1CCN(C2=C3OC4=C(C=CC=C4)C3=NC=N2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C23H21N5O3S.ClH/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21;/h1-6,11,13H,7-10,12,14H2,(H,24,32);1H |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:17]2[C:16](=[CH:3]1)[C:20]1=[C:21]([C:22]([N:27]3[CH2:7][CH2:9][N:28]([C:23](=[N:24][CH2:12][C:15]4=[CH:11][C:19]5=[C:18]([CH:6]=[CH:5]4)[O:29][CH2:14][O:30]5)[SH:32])[CH2:10][CH2:8]3)=[N:26][CH:13]=[N:25]1)[O:31]2.[ClH:33] |
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