PPO
Summary
Name: | 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL |
Formula: | C5 H4 N4 O |
Formal charge: | 0 |
Formula weight: | 136.111 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3H-pyrazolo[4,3-d]pyrimidin-7-ol |
OpenEye OEToolkits | 1.5.0 | 3H-pyrazolo[3,4-e]pyrimidin-7-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(N=NC1)c(nc2)O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ncnc2CN=Nc12 |
SMILES | CACTVS | 3.341 | Oc1ncnc2CN=Nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(c(n1)O)N=NC2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(c(n1)O)N=NC2 |
InChI | InChI | 1.03 | InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10) |
InChIKey | InChI | 1.03 | OGCXIHWGXUQTCQ-UHFFFAOYSA-N |