Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)C(Nc1nc(nc(c1Cl)C)c2ncccc2)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H18ClN5O/c1-12-16(20)19(25-18(23-12)14-9-5-6-10-22-14)24-15(17(21)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,26)(H,23,24,25)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | SELSGPMCFPHSDG-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(nc(N[C@H](Cc2ccccc2)C(N)=O)c1Cl)c3ccccn3 |
SMILES | CACTVS | 3.370 | Cc1nc(nc(N[CH](Cc2ccccc2)C(N)=O)c1Cl)c3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)c2ccccn2)NC(Cc3ccccc3)C(=O)N)Cl |