Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](COc1cncc2nc(ccc12)c3ccncc3)Cc4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.341 | N[CH](COc1cncc2nc(ccc12)c3ccncc3)Cc4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(COc3cncc4c3ccc(n4)c5ccncc5)N |
InChI | InChI | 1.03 | InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1 |
InChIKey | InChI | 1.03 | DQIXTEDFNFZMCM-SFHVURJKSA-N |