Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3ncccc3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1 |
SMILES | CACTVS | 3.341 | CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 |
InChI | InChI | 1.03 | InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | HOCBJBNQIQQQGT-LJQANCHMSA-N |