| Properties | Image |
|---|
| MNX_ID | MNXM1100400 |
 |
| reference | keggC:C22171 |
| formula | C23H25N5O3 |
| global charge | 0 |
| mol weight | 419.485 |
| InChIKey | UGXLTDJSORIITQ-MHWRWJLKSA-N |
| InChI | InChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+ |
| SMILES | C=CC(C)(C)C12CC3C(=O)N/C(=C/C4=CNC=N4)C(=O)N3C1N(OC)C1=CC=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+/t18?,21?,23? |
 |
| SMILES (mnx) | [CH2:1]=[CH:5][C:22]([CH3:2])([CH3:3])[C:23]12[CH2:11][CH:18]3[C:19]([OH:29])=[N:26]/[C:16](=[CH:10]/[C:14]4=[CH:12][N:24]=[CH:13][NH:25]4)[C:20](=[O:30])[N:27]3[CH:21]1[N:28]([O:31][CH3:4])[C:17]1=[CH:9][CH:7]=[CH:6][CH:8]=[C:15]12 |
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