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PDBeChem : Molecule Descriptors
Molecule : VZS
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17) |
2 |
InChIKey
|
InChI |
1.03 |
WMVVWYCMGLIOCC-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC |
4 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(C)cc1NC(=O)Nn2cnnc2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(C)cc1NC(=O)Nn2cnnc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC |
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