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PDBeChem : Molecule Descriptors
Molecule : 7ZM
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21) |
2 |
InChIKey
|
InChI |
1.03 |
XRMPIZHDSBHDCD-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O |
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