Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1 |
InChIKey | InChI | 1.06 | NTAJKWXFTUHESI-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(c(c1)[C@@H](C)Nc3ccc(nc3C(=O)O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(c(c1)C(C)Nc3ccc(nc3C(=O)O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4 |