| Properties | Image |
| MNX_ID | MNXM172482 |
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| reference | chebi:92841 |
| formula | C19H19N3O2S |
| global charge | 0 |
| mol weight | 353.447 |
| InChIKey | KJMXEUCARPOYRU-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H19N3O2S/c1-24-15-4-2-13(3-5-15)17(23)14-6-9-22(10-7-14)18-16-8-11-25-19(16)21-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3 |
| SMILES | COC1=CC=C(C(=O)C2CCN(C3=C4C=CSC4=NC=N3)CC2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H19N3O2S/c1-24-15-4-2-13(3-5-15)17(23)14-6-9-22(10-7-14)18-16-8-11-25-19(16)21-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3 |
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| SMILES (mnx) | [CH3:1][O:24][C:15]1=[CH:5][CH:3]=[C:13]([C:17]([CH:14]2[CH2:6][CH2:9][N:22]([C:18]3=[C:16]4[CH:8]=[CH:11][S:25][C:19]4=[N:21][CH:12]=[N:20]3)[CH2:10][CH2:7]2)=[O:23])[CH:2]=[CH:4]1 |
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