| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)C(C(O)=O)Sc3nc2c(C(NC(N)=N2)=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O3S/c14-12-16-9-7(10(19)18-12)15-13(17-9)22-8(11(20)21)6-4-2-1-3-5-6/h1-5,8H,(H,20,21)(H4,14,15,16,17,18,19)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | CGEIBNIHDCYIDG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c(S[C@@H](C(O)=O)c3ccccc3)nc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c(S[CH](C(O)=O)c3ccccc3)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N |
