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PDBeChem : Molecule Descriptors
Molecule : F6U
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
USXONNDLXUHCOD-RNFRBKRXSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1cnc2c(N)ncnc12 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O |
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