Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) |
InChIKey | InChI | 1.06 | HWODCHXORCTEGU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O |
SMILES | CACTVS | 3.385 | CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N |