| Properties | Image |
MNX_ID | MNXM339820 |
 |
reference | chebi:109156 |
formula | C21H25N5O3 |
global charge | 0 |
mol weight | 395.463 |
InChIKey | VNXRYQGUOXLTPJ-UHFFFAOYSA-N |
InChI | InChI=1S/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3 |
SMILES | COCCN1N=NN=C1C(C1=CC(OC)=C(OC)C=C1)N1CCC2=CC=CC=C21 |
MNX internals
InChI (mnx) | InChI=1/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3/t20? |
 |
SMILES (mnx) | [CH3:1][O:27][CH2:13][CH2:12][N:26]1[C:21]([CH:20]([C:16]2=[CH:14][C:19]([O:29][CH3:3])=[C:18]([O:28][CH3:2])[CH:9]=[CH:8]2)[N:25]2[CH2:11][CH2:10][C:15]3=[CH:6][CH:4]=[CH:5][CH:7]=[C:17]32)=[N:22][N:23]=[N:24]1 |
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