Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C2N(C(=NC2(c1cc(c(OC)cc1)C)c4cccc(c3cccnc3)c4)N)C |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1C)[C@@]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cccnc4 |
SMILES | CACTVS | 3.352 | COc1ccc(cc1C)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | TWVGNKMRZLBNOD-QHCPKHFHSA-N |