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PDBeChem : Molecule Descriptors
Molecule : JCZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15) |
2 |
InChIKey
|
InChI |
1.03 |
WGNBSWSUVHVDSW-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N |
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