Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1ccc(cc1)C2(N=C(N)C(OC)C2)c3cc(ccc3)c4cccnc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26)/t21-,23-/m1/s1 |
InChIKey | InChI | 1.03 | XBWQSEBJKSPBBV-FYYLOGMGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1C[C@@](N=C1N)(c2ccc(OC)cc2)c3cccc(c3)c4cccnc4 |
SMILES | CACTVS | 3.385 | CO[CH]1C[C](N=C1N)(c2ccc(OC)cc2)c3cccc(c3)c4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C2(CC(C(=N2)N)OC)c3cccc(c3)c4cccnc4 |