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PDBeChem : Molecule Descriptors
Molecule : 5V7
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16) |
2 |
InChIKey
|
InChI |
1.03 |
JEHSMTZNFSEDBY-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Nc1scc(n1)c2nccc3C(=O)NC=Nc23 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1scc(n1)c2nccc3C(=O)NC=Nc23 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N |
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