Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N2C(c1nnc(NC(=O)CC(C)C)c1C2)(C)C)C3CCN(C)CC3 |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C |
SMILES | CACTVS | 3.352 | CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25) |
InChIKey | InChI | 1.03 | HUXYBQXJVXOMKX-UHFFFAOYSA-N |