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PDBeChem : Molecule Descriptors
Molecule : S6Z
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3 |
2 |
InChIKey
|
InChI |
1.03 |
CHNUNORXWHYHNE-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C |
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