Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3 |
InChIKey | InChI | 1.03 | TUTSWQSDTDEPDU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C |