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PDBeChem : Molecule Descriptors
Molecule : URE
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) |
2 |
InChIKey
|
InChI |
1.03 |
XSQUKJJJFZCRTK-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(N)N |
4 |
SMILES
|
CACTVS |
3.341 |
NC(N)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(=O)(N)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
NC(N)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(=O)(N)N |
|