Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(cc(C)c1)Oc1cccc(n1)c1c(C)nnn1C1CCN(CCN(C)C)CC1 |
InChI | InChI | 1.03 | InChI=1S/C25H34N6O/c1-18-15-19(2)17-22(16-18)32-24-8-6-7-23(26-24)25-20(3)27-28-31(25)21-9-11-30(12-10-21)14-13-29(4)5/h6-8,15-17,21H,9-14H2,1-5H3 |
InChIKey | InChI | 1.03 | PIKWYDHWUKSWAQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(C)cc(C)c4)n3 |
SMILES | CACTVS | 3.385 | CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(C)cc(C)c4)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C |