Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O |
InChI | InChI | 1.03 | InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | YVDVVIJXVARLFM-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(N[C@@H]2CCN(C2)c3sc(NC(C)=O)nn3)nn1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(N[CH]2CCN(C2)c3sc(NC(C)=O)nn3)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nnc(s1)NC2CCN(C2)c3nnc(s3)NC(=O)C |