Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H23ClN6O2/c1-26(2)9-10-29-19(28)18-14(11-13-7-5-4-6-8-13)17(25-27(18)3)15-12-16(21)24-20(22)23-15/h4-8,12H,9-11H2,1-3H3,(H2,22,23,24) |
InChIKey | InChI | 1.06 | DNOCFTKJMRTNST-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCOC(=O)c1n(C)nc(c1Cc2ccccc2)c3cc(Cl)nc(N)n3 |
SMILES | CACTVS | 3.385 | CN(C)CCOC(=O)c1n(C)nc(c1Cc2ccccc2)c3cc(Cl)nc(N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3)C(=O)OCCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(c(n1)c2cc(nc(n2)N)Cl)Cc3ccccc3)C(=O)OCCN(C)C |