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PDBeChem : Molecule Descriptors
Molecule : 4BZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10) |
2 |
InChIKey
|
InChI |
1.03 |
WHMKAFNJMLEDSN-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
OCc1ccc(C(=[N@H])N)cc1 |
4 |
SMILES
|
CACTVS |
3.341 |
NC(=N)c1ccc(CO)cc1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
[H]N=C(c1ccc(cc1)CO)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
NC(=N)c1ccc(CO)cc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[H]/N=C(\c1ccc(cc1)CO)/N |
|