Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2C(CCN(c1nnc(NC(C)=O)s1)C2)Oc3nnc(NC(C)=O)s3 |
InChI | InChI | 1.03 | InChI=1S/C13H17N7O3S2/c1-7(21)14-10-16-18-12(24-10)20-5-3-9(4-6-20)23-13-19-17-11(25-13)15-8(2)22/h9H,3-6H2,1-2H3,(H,14,16,21)(H,15,17,22) |
InChIKey | InChI | 1.03 | UTGXSPFIBVKMDL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(OC2CCN(CC2)c3sc(NC(C)=O)nn3)nn1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(OC2CCN(CC2)c3sc(NC(C)=O)nn3)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C |