Q4H
Summary
Name: | 4-azanylpyrimidine-5-carbonitrile |
Formula: | C5 H4 N4 |
Formal charge: | 0 |
Formula weight: | 120.112 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-azanylpyrimidine-5-carbonitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9) |
InChIKey | InChI | 1.03 | JAIYUIOGVNRXEW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncncc1C#N |
SMILES | CACTVS | 3.385 | Nc1ncncc1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(ncn1)N)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(ncn1)N)C#N |