| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H15N7.2CH4O3S.2H2O |
| Molecular Weight | 545.59 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CS(O)(=O)=O.CS(O)(=O)=O.C1CC1NC2=C3N=CNC3=NC(NC4=CC=C5N=CC=CC5=C4)=N2
InChI
InChIKey=FZCUKXDHZVKFFA-UHFFFAOYSA-N
InChI=1S/C17H15N7.2CH4O3S.2H2O/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11;2*1-5(2,3)4;;/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24);2*1H3,(H,2,3,4);2*1H2
| Molecular Formula | C17H15N7 |
| Molecular Weight | 317.3479 |
| 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 | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
