Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Nc1nc2c(n1)C(=O)N(C)C(N2C)=O)CN3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C13H20N6O3/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)14-3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3,(H2,14,15,16) |
InChIKey | InChI | 1.03 | BAASUQZVWLHLKR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2nc(NCCN3CCOCC3)[nH]c2C1=O |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2nc(NCCN3CCOCC3)[nH]c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C |