Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C |
SMILES | CACTVS | 3.370 | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N |
InChI | InChI | 1.03 | InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) |
InChIKey | InChI | 1.03 | QULDDKSCVCJTPV-UHFFFAOYSA-N |