Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1ccc2[nH]c(nc2c1)c3[nH]nc(C)c3C(=O)NC4CCN(C)CC4 |
SMILES | CACTVS | 3.370 | CC(C)c1ccc2[nH]c(nc2c1)c3[nH]nc(C)c3C(=O)NC4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C |
InChI | InChI | 1.03 | InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26) |
InChIKey | InChI | 1.03 | PFGGMNGDLVJXNC-UHFFFAOYSA-N |