| Properties | Image |
|---|
| MNX_ID | MNXM1181697 |
 |
| reference | envipathM:...bb8d3c53fa5f |
| formula | C19H20N5O3 |
| global charge | -1 |
| mol weight | 366.401 |
| InChIKey | FISUMKCTQZYRSY-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H21N5O3/c1-11(2)17(19(26)27)20-10-13-8-7-12(9-16(13)25)14-5-3-4-6-15(14)18-21-23-24-22-18/h3-9,11,17,20,25H,10H2,1-2H3,(H,26,27)(H,21,22,23,24)/p-1 |
| SMILES | CC(C)C(NCC1=C(O)C=C(C2=CC=CC=C2C2=NNN=N2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H21N5O3/c1-11(2)17(19(26)27)20-10-13-8-7-12(9-16(13)25)14-5-3-4-6-15(14)18-21-23-24-22-18/h3-9,11,17,20,25H,10H2,1-2H3,(H,26,27)(H,21,22,23,24)/t17? |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH:17]([C:19](=[O:26])[OH:27])[NH:20][CH2:10][C:13]1=[C:16]([OH:25])[CH:9]=[C:12]([C:14]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:15]2[C:18]2=[N:21][NH:23][N:24]=[N:22]2)[CH:7]=[CH:8]1 |
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