| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H19N3O4.ClH |
| Molecular Weight | 413.854 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC(=CC(OC)=C1OC)C(=O)C2=CNC(=N2)C3=CNC4=C3C=CC=C4
InChI
InChIKey=XJDKAFZMXMMMKD-UHFFFAOYSA-N
InChI=1S/C21H19N3O4.ClH/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15;/h4-11,22H,1-3H3,(H,23,24);1H
| Molecular Formula | C21H19N3O4 |
| Molecular Weight | 377.3933 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
