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PDBeChem : Molecule Descriptors
Molecule : UV5
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30) |
2 |
InChIKey
|
InChI |
1.03 |
QORQCYPXGXBYBR-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4 |
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