| Properties | Image |
|---|
| MNX_ID | MNXM1179050 |
 |
| reference | envipathM:...4f30a7537a5b |
| formula | C20H23N7O6 |
| global charge | 0 |
| mol weight | 457.447 |
| InChIKey | DWLYYYDATQOJIF-JLPGSUDCSA-N |
| InChI | InChI=1S/C20H23N7O6/c1-20(2,3)33-19(31)22-15-7-5-6-12(21-15)10-32-24-16(18-23-25-26-27(18)4)11-8-13(28)17(30)14(29)9-11/h5-9,28-30H,10H2,1-4H3,(H,21,22,31)/b24-16- |
| SMILES | CN1N=NN=C1/C(=N\OCC1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H23N7O6/c1-20(2,3)33-19(31)22-15-7-5-6-12(21-15)10-32-24-16(18-23-25-26-27(18)4)11-8-13(28)17(30)14(29)9-11/h5-9,28-30H,10H2,1-4H3,(H,21,22,31)/b24-16- |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])([CH3:3])[O:33][C:19](=[N:22][C:15]1=[CH:7][CH:5]=[CH:6][C:12]([CH2:10][O:32]/[N:24]=[C:16](/[C:11]2=[CH:8][C:13]([OH:28])=[C:17]([OH:30])[C:14]([OH:29])=[CH:9]2)[C:18]2=[N:23][N:25]=[N:26][N:27]2[CH3:4])=[N:21]1)[OH:31] |
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