Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCNc1ncc(s1)C(=O)NCCn1cc(nc1)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C12H15N5O3S/c1-2-13-12-15-5-9(21-12)10(18)14-3-4-17-6-8(11(19)20)16-7-17/h5-7H,2-4H2,1H3,(H,13,15)(H,14,18)(H,19,20) |
InChIKey | InChI | 1.06 | XUTVGWPXCMPLPZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNc1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O |
SMILES | CACTVS | 3.385 | CCNc1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O |