Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCc1ccc2OCOc2c1)C5N(c3nc(nc(c3)C)n4ccnc4)CCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5OCOc5c4 |
SMILES | CACTVS | 3.341 | Cc1cc(nc(n1)n2ccnc2)N3CCC[CH]3C(=O)NCCc4ccc5OCOc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(nc(n1)n2ccnc2)N3CCCC3C(=O)NCCc4ccc5c(c4)OCO5 |
InChI | InChI | 1.03 | InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | LBCGUKCXRVUULK-QGZVFWFLSA-N |