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PDBeChem : Molecule Descriptors
Molecule : GWV
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3 |
2 |
InChIKey
|
InChI |
1.03 |
NZXPKDJRJFKEIC-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC(C)NCc1ccc(cc1)N(C)C |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CC(C)NCc1ccc(cc1)N(C)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)NCc1ccc(cc1)N(C)C |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CC(C)NCc1ccc(cc1)N(C)C |
|