Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N/N=C/c1c(cc(O)cc1O)C)C(c2ccccc2)N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@@H](N)c2ccccc2 |
SMILES | CACTVS | 3.370 | Cc1cc(O)cc(O)c1C=NNC(=O)[CH](N)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1C=NNC(=O)C(c2ccccc2)N)O)O |
InChI | InChI | 1.03 | InChI=1S/C16H17N3O3/c1-10-7-12(20)8-14(21)13(10)9-18-19-16(22)15(17)11-5-3-2-4-6-11/h2-9,15,20-21H,17H2,1H3,(H,19,22)/b18-9+/t15-/m0/s1 |
InChIKey | InChI | 1.03 | AZDBUHXHTHEIHT-UPAIAECRSA-N |