Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC(=O)NCC)cc4 |
SMILES_CANONICAL | CACTVS | 3.370 | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES | CACTVS | 3.370 | CCNC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCNC(=O)CC1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C |
InChI | InChI | 1.03 | InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | AAAQFGUYHFJNHI-SFHVURJKSA-N |