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PDBeChem : Molecule Descriptors
Molecule : F1E
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24) |
2 |
InChIKey
|
InChI |
1.03 |
GPGRCPHGBRLBEI-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C |
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