| Properties | Image |
|---|
| MNX_ID | MNXM1138637 |
 |
| reference | envipathM:...b33c70b14137 |
| formula | C19H19N5O4 |
| global charge | 0 |
| mol weight | 381.392 |
| InChIKey | BOPHNDLYJOPDEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H19N5O4/c25-10-2-1-3-16(27)20-11-12-4-6-13(7-5-12)14-8-9-15(26)18(28)17(14)19-21-23-24-22-19/h4-10,26,28H,1-3,11H2,(H,20,27)(H,21,22,23,24) |
| SMILES | O=CCCCC(=O)NCC1=CC=C(C2=CC=C(O)C(O)=C2C2=NNN=N2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H19N5O4/c25-10-2-1-3-16(27)20-11-12-4-6-13(7-5-12)14-8-9-15(26)18(28)17(14)19-21-23-24-22-19/h4-10,26,28H,1-3,11H2,(H,20,27)(H,21,22,23,24) |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH:10]=[O:25])[CH2:3][C:16](=[N:20][CH2:11][C:12]1=[CH:5][CH:7]=[C:13]([C:14]2=[C:17]([C:19]3=[N:21][NH:23][N:24]=[N:22]3)[C:18]([OH:28])=[C:15]([OH:26])[CH:9]=[CH:8]2)[CH:6]=[CH:4]1)[OH:27] |
|