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PDBeChem : Molecule Descriptors
Molecule : ATZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) |
2 |
InChIKey
|
InChI |
1.03 |
MXWJVTOOROXGIU-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
Clc1nc(nc(n1)NC(C)C)NCC |
4 |
SMILES
|
CACTVS |
3.341 |
CCNc1nc(Cl)nc(NC(C)C)n1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCNc1nc(nc(n1)Cl)NC(C)C |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CCNc1nc(Cl)nc(NC(C)C)n1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCNc1nc(nc(n1)Cl)NC(C)C |
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