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PDBeChem : Molecule Descriptors
Molecule : F4G
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18) |
2 |
InChIKey
|
InChI |
1.03 |
WEFADYMRJJMXCA-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3 |
4 |
SMILES
|
CACTVS |
3.385 |
NC(=O)c1cccn2c(cnc12)c3cccnc3 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(cnc1)c2cnc3n2cccc3C(=O)N |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
NC(=O)c1cccn2c(cnc12)c3cccnc3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(cnc1)c2cnc3n2cccc3C(=O)N |
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