Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nn2c(c(nc2c(c1)N)C)c3ccc(OC)c(OC)c3 |
InChI | InChI | 1.03 | InChI=1S/C15H15ClN4O2/c1-8-14(9-4-5-11(21-2)12(6-9)22-3)20-15(18-8)10(17)7-13(16)19-20/h4-7H,17H2,1-3H3 |
InChIKey | InChI | 1.03 | QKMGMIGTYUUELE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)c2n3nc(Cl)cc(N)c3nc2C |
SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)c2n3nc(Cl)cc(N)c3nc2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC |