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PDBeChem : Molecule Descriptors
Molecule : GZO
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26) |
2 |
InChIKey
|
InChI |
1.03 |
WXXSNCNJFUAIDG-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC |
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