Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28) |
InChIKey | InChI | 1.06 | JLUUVUUYIXBDCG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6 |
SMILES | CACTVS | 3.385 | CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C |